6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol — IUPAC name, SMILES, InChIKey & properties

Name: 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol

6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol (PubChem CID 157387265) has the molecular formula C96H80ClN27O2 and a molecular weight of 1679.34 g/mol. Its IUPAC name is 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol.

Molecular Properties

Compound Name	6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol
PubChem CID	157387265
Molecular Formula	C96H80ClN27O2
Molecular Weight	1679.34 g/mol
Exact Mass	1677.67
IUPAC Name	6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol
SMILES	CN1CCN(c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1.Clc1ccc2nnn(Cc3ccc4ncccc4c3)c2n1.OCCCc1ccc2nnn(Cc3ccc4ncccc4c3)c2n1.c1ccc(Cc2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1.c1ccc(Oc2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1
InChI	InChI=1S/C22H17N5.C21H15N5O.C20H21N7.C18H17N5O.C15H10ClN5/c1-2-5-16(6-3-1)14-19-9-11-21-22(24-19)27(26-25-21)15-17-8-10-20-18(13-17)7-4-12-23-20;1-2-6-17(7-3-1)27-20-11-10-19-21(23-20)26(25-24-19)14-15-8-9-18-16(13-15)5-4-12-22-18;1-25-9-11-26(12-10-25)19-7-6-18-20(22-19)27(24-23-18)14-15-4-5-17-16(13-15)3-2-8-21-17;24-10-2-4-15-6-8-17-18(20-15)23(22-21-17)12-13-5-7-16-14(11-13)3-1-9-19-16;16-14-6-5-13-15(18-14)21(20-19-13)9-10-3-4-12-11(8-10)2-1-7-17-12/h1-13H,14-15H2;1-13H,14H2;2-8,13H,9-12,14H2,1H3;1,3,5-9,11,24H,2,4,10,12H2;1-8H,9H2
InChIKey	BLOUBLPGJUBQNS-UHFFFAOYSA-N
XLogP	15.83
TPSA	318.39 Å²
H-Bond Donors	1
H-Bond Acceptors	29
Rotatable Bonds	18
Heavy Atoms	126
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1679.34
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol?

The IUPAC name of 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol (CID 157387265) is 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol.

What is the SMILES notation for 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol?

The canonical SMILES for 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol is CN1CCN(c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)CC1.Clc1ccc2nnn(Cc3ccc4ncccc4c3)c2n1.OCCCc1ccc2nnn(Cc3ccc4ncccc4c3)c2n1.c1ccc(Cc2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1.c1ccc(Oc2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1.

What is the InChIKey of 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol?

The InChIKey is BLOUBLPGJUBQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5.C21H15N5O.C20H21N7.C18H17N5O.C15H10ClN5/c1-2-5-16(6-3-1)14-19-9-11-21-22(24-19)27(26-25-21)15-17-8-10-20-18(13-17)7-4-12-23-20;1-2-6-17(7-3-1)27-20-11-10-19-21(23-20)26(25-24-19)14-15-8-9-18-16(13-15)5-4-12-22-18;1-25-9-11-26(12-10-25)19-7-6-18-20(22-19)27(24-23-18)14-15-4-5-17-16(13-15)3-2-8-21-17;24-10-2-4-15-6-8-17-18(20-15)23(22-21-17)12-13-5-7-16-14(11-13)3-1-9-19-16;16-14-6-5-13-15(18-14)21(20-19-13)9-10-3-4-12-11(8-10)2-1-7-17-12/h1-13H,14-15H2;1-13H,14H2;2-8,13H,9-12,14H2,1H3;1,3,5-9,11,24H,2,4,10,12H2;1-8H,9H2.

What are the key properties of 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol?

Where does this data come from?

All data for 6-[(5-benzyltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[(5-chlorotriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;6-[[5-(4-methylpiperazin-1-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[(5-phenoxytriazolo[4,5-b]pyridin-3-yl)methyl]quinoline;3-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]propan-1-ol is sourced from PubChem (CID 157387265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).