2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide

C7H12N6O — CID 66276026

IUPAC2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide
SMILESNc1nc(NCC(=O)NC2CC2)n[nH]1
InChIInChI=1S/C7H12N6O/c8-6-11-7(13-12-6)9-3-5(14)10-4-1-2-4/h4H,1-3H2,(H,10,14)(H4,8,9,11,12,13)
InChIKeyUJNMBCYQEAJIEH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.92
Rot. Bonds4

About 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide

2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide (PubChem CID 66276026) has the molecular formula C7H12N6O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide
PubChem CID66276026
Molecular FormulaC7H12N6O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide
SMILESNc1nc(NCC(=O)NC2CC2)n[nH]1
InChIInChI=1S/C7H12N6O/c8-6-11-7(13-12-6)9-3-5(14)10-4-1-2-4/h4H,1-3H2,(H,10,14)(H4,8,9,11,12,13)
InChIKeyUJNMBCYQEAJIEH-UHFFFAOYSA-N
XLogP-0.92
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
CID 80792553
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(cyclopropylcarbamoyl)acetamide
CID 34227623
2-[(5-chloropyrimidin-2-yl)amino]-N-cyclopropylacetamide
CID 79556332
3-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylpropanamide
CID 43213339
2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-methylamino]-N-cyclopropylacetamide
CID 9416949
3-N-ethyl-1H-1,2,4-triazole-3,5-diamine
CID 13045202
2-[(2-amino-5-methylpyrimidin-4-yl)amino]-N-cyclopropylacetamide
CID 80793027
N-cyclopropyl-2-[(3,5,6-trichloro-2-pyridinyl)amino]acetamide
CID 102750403
2-[(5-amino-6-methoxy-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568213
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(oxan-4-yl)piperidin-4-yl]acetamide;formic acid
CID 154909706
2-[(3-amino-4-pyridinyl)amino]-N-cyclopropylacetamide
CID 43568204
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43583025

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide (CID 66276026) is 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide is Nc1nc(NCC(=O)NC2CC2)n[nH]1.
What is the InChIKey of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide?
The InChIKey is UJNMBCYQEAJIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O/c8-6-11-7(13-12-6)9-3-5(14)10-4-1-2-4/h4H,1-3H2,(H,10,14)(H4,8,9,11,12,13).
What are the key properties of 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide?
2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide has a molecular weight of 196.21 g/mol, XLogP of -0.92, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 66276026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).