3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride

C14H18ClN5O — CID 119770741

IUPAC3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
SMILESCc1nc2n(n1)CC(NC(=O)c1cccc(N)c1)CC2.Cl
InChIInChI=1S/C14H17N5O.ClH/c1-9-16-13-6-5-12(8-19(13)18-9)17-14(20)10-3-2-4-11(15)7-10;/h2-4,7,12H,5-6,8,15H2,1H3,(H,17,20);1H
InChIKeyWAEXJYCYLPAPLI-UHFFFAOYSA-N
MW307.79 g/mol
LogP1.34
Rot. Bonds2

About 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride

3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride (PubChem CID 119770741) has the molecular formula C14H18ClN5O and a molecular weight of 307.79 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
PubChem CID119770741
Molecular FormulaC14H18ClN5O
Molecular Weight307.79 g/mol
Exact Mass307.12
IUPAC Name3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride
SMILESCc1nc2n(n1)CC(NC(=O)c1cccc(N)c1)CC2.Cl
InChIInChI=1S/C14H17N5O.ClH/c1-9-16-13-6-5-12(8-19(13)18-9)17-14(20)10-3-2-4-11(15)7-10;/h2-4,7,12H,5-6,8,15H2,1H3,(H,17,20);1H
InChIKeyWAEXJYCYLPAPLI-UHFFFAOYSA-N
XLogP1.34
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.79
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride (CID 119770741) is 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride is Cc1nc2n(n1)CC(NC(=O)c1cccc(N)c1)CC2.Cl.
What is the InChIKey of 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride?
The InChIKey is WAEXJYCYLPAPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O.ClH/c1-9-16-13-6-5-12(8-19(13)18-9)17-14(20)10-3-2-4-11(15)7-10;/h2-4,7,12H,5-6,8,15H2,1H3,(H,17,20);1H.
What are the key properties of 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride?
3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride has a molecular weight of 307.79 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide;hydrochloride is sourced from PubChem (CID 119770741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).