1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

C19H21N5O3 — CID 70228749

IUPAC1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(N)c2)n2nc(C3(C(=O)NCCO)CC3)nc12
InChIInChI=1S/C19H21N5O3/c1-27-15-6-5-14(12-3-2-4-13(20)11-12)24-16(15)22-17(23-24)19(7-8-19)18(26)21-9-10-25/h2-6,11,25H,7-10,20H2,1H3,(H,21,26)
InChIKeyBAUGVCZXEDHBSY-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.13
Rot. Bonds6

About 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide

1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (PubChem CID 70228749) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
PubChem CID70228749
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(-c2cccc(N)c2)n2nc(C3(C(=O)NCCO)CC3)nc12
InChIInChI=1S/C19H21N5O3/c1-27-15-6-5-14(12-3-2-4-13(20)11-12)24-16(15)22-17(23-24)19(7-8-19)18(26)21-9-10-25/h2-6,11,25H,7-10,20H2,1H3,(H,21,26)
InChIKeyBAUGVCZXEDHBSY-UHFFFAOYSA-N
XLogP1.13
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide (CID 70228749) is 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is COc1ccc(-c2cccc(N)c2)n2nc(C3(C(=O)NCCO)CC3)nc12.
What is the InChIKey of 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
The InChIKey is BAUGVCZXEDHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-15-6-5-14(12-3-2-4-13(20)11-12)24-16(15)22-17(23-24)19(7-8-19)18(26)21-9-10-25/h2-6,11,25H,7-10,20H2,1H3,(H,21,26).
What are the key properties of 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide?
1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-aminophenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70228749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).