6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine

C14H10Cl3N5 — CID 167872795

IUPAC6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine
SMILESClc1ccc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1
InChIInChI=1S/C14H10Cl3N5/c15-12-3-2-11(5-13(12)16)22-8-10(20-21-22)7-18-9-1-4-14(17)19-6-9/h1-6,8,18H,7H2
InChIKeyRZTLABCTVMLOCK-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.23
Rot. Bonds4

About 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine

6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine (PubChem CID 167872795) has the molecular formula C14H10Cl3N5 and a molecular weight of 354.63 g/mol. Its IUPAC name is 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine
PubChem CID167872795
Molecular FormulaC14H10Cl3N5
Molecular Weight354.63 g/mol
Exact Mass353.00
IUPAC Name6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine
SMILESClc1ccc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1
InChIInChI=1S/C14H10Cl3N5/c15-12-3-2-11(5-13(12)16)22-8-10(20-21-22)7-18-9-1-4-14(17)19-6-9/h1-6,8,18H,7H2
InChIKeyRZTLABCTVMLOCK-UHFFFAOYSA-N
XLogP4.23
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyridine, 3-(1-(4-chlorophenyl)-1H-1,2,3-triazol-5-yl)-
CID 3066642
2-(1-(3-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)benzenamine
CID 44157074
2-(1-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44564576
2-(1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44565142
7,8-Dichloro-4-methyl-4,5-dihydropyrrolo[1,2-a]quinoxaline
CID 164627477
4-[1-(4-Chloro-phenyl)-1H-[1,2,3]triazol-4-yl]-pyridine
CID 10801110
4-[3-(4-Chlorophenyl)triazol-4-yl]pyridine
CID 12440913
4-[3-(3-Chlorophenyl)triazol-4-yl]pyridine
CID 13714290
2-(1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-3-ylmethyl)aniline
CID 44565090
2-(1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)pyridine
CID 57393650
4-[1-(3-Chlorophenyl)triazol-4-yl]pyridine
CID 57397197
2-[3-(4-Chlorophenyl)-4,5-dihydrotriazol-4-yl]pyridine
CID 9878339

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine (CID 167872795) is 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine is Clc1ccc(NCc2cn(-c3ccc(Cl)c(Cl)c3)nn2)cn1.
What is the InChIKey of 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine?
The InChIKey is RZTLABCTVMLOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3N5/c15-12-3-2-11(5-13(12)16)22-8-10(20-21-22)7-18-9-1-4-14(17)19-6-9/h1-6,8,18H,7H2.
What are the key properties of 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine?
6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine has a molecular weight of 354.63 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(3,4-dichlorophenyl)triazol-4-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 167872795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).