2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide

C11H11N7O — CID 112527257

IUPAC2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C11H11N7O/c12-10-5-14-18(17-10)6-11(19)15-8-1-2-9-7(3-8)4-13-16-9/h1-5H,6H2,(H2,12,17)(H,13,16)(H,15,19)
InChIKeyTWYMUXOYPLCNJG-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.38
Rot. Bonds3

About 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide

2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide (PubChem CID 112527257) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide
PubChem CID112527257
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide
SMILESNc1cnn(CC(=O)Nc2ccc3[nH]ncc3c2)n1
InChIInChI=1S/C11H11N7O/c12-10-5-14-18(17-10)6-11(19)15-8-1-2-9-7(3-8)4-13-16-9/h1-5H,6H2,(H2,12,17)(H,13,16)(H,15,19)
InChIKeyTWYMUXOYPLCNJG-UHFFFAOYSA-N
XLogP0.38
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-(1H-indazol-5-yl)propanamide
CID 17164503
2-(4-aminotriazol-2-yl)-N-(1,3-benzothiazol-6-yl)acetamide
CID 112525789
4-hydroxy-N-(1H-indazol-5-yl)butanamide
CID 79200157
N-[1-[2-(1H-indazol-5-ylamino)-2-oxoethyl]triazol-4-yl]cyclopropanecarboxamide
CID 112527315
2-(4-hydroxyphenyl)-N-(1H-indazol-5-yl)acetamide
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2-(1-aminocyclobutyl)-N-(1H-indazol-5-yl)acetamide
CID 79851440
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
N-(1H-indazol-5-yl)-4,4-dimethylpentanamide
CID 155236090
2-(4-aminotriazol-2-yl)-N-(1H-benzimidazol-2-yl)acetamide
CID 112528014
(2S)-2-amino-N-[2-(1H-indazol-5-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82963463
N-(1H-indazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 71943300
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide?
The IUPAC name of 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide (CID 112527257) is 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide?
The canonical SMILES for 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide is Nc1cnn(CC(=O)Nc2ccc3[nH]ncc3c2)n1.
What is the InChIKey of 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide?
The InChIKey is TWYMUXOYPLCNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c12-10-5-14-18(17-10)6-11(19)15-8-1-2-9-7(3-8)4-13-16-9/h1-5H,6H2,(H2,12,17)(H,13,16)(H,15,19).
What are the key properties of 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide?
2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide has a molecular weight of 257.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminotriazol-2-yl)-N-(1H-indazol-5-yl)acetamide is sourced from PubChem (CID 112527257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).