2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

C20H19ClN6O — CID 126700318

IUPAC2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
SMILESClc1nc2ccc(-c3nc4cc(NCC5CC5)cc5c4n3CCCO5)cn2n1
InChIInChI=1S/C20H19ClN6O/c21-20-24-17-5-4-13(11-27(17)25-20)19-23-15-8-14(22-10-12-2-3-12)9-16-18(15)26(19)6-1-7-28-16/h4-5,8-9,11-12,22H,1-3,6-7,10H2
InChIKeyCJPLOTFNNIUTSM-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.00
Rot. Bonds4

About 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine

2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine (PubChem CID 126700318) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine.

Molecular Properties

Compound Name2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
PubChem CID126700318
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC Name2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
SMILESClc1nc2ccc(-c3nc4cc(NCC5CC5)cc5c4n3CCCO5)cn2n1
InChIInChI=1S/C20H19ClN6O/c21-20-24-17-5-4-13(11-27(17)25-20)19-23-15-8-14(22-10-12-2-3-12)9-16-18(15)26(19)6-1-7-28-16/h4-5,8-9,11-12,22H,1-3,6-7,10H2
InChIKeyCJPLOTFNNIUTSM-UHFFFAOYSA-N
XLogP4.00
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The IUPAC name of 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine (CID 126700318) is 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine.
What is the SMILES notation for 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The canonical SMILES for 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine is Clc1nc2ccc(-c3nc4cc(NCC5CC5)cc5c4n3CCCO5)cn2n1.
What is the InChIKey of 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
The InChIKey is CJPLOTFNNIUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c21-20-24-17-5-4-13(11-27(17)25-20)19-23-15-8-14(22-10-12-2-3-12)9-16-18(15)26(19)6-1-7-28-16/h4-5,8-9,11-12,22H,1-3,6-7,10H2.
What are the key properties of 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine?
2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine has a molecular weight of 394.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine is sourced from PubChem (CID 126700318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).