2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide

C10H16N6O2 — CID 115458990

IUPAC2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
SMILESNCc1cn(CC(=O)NCC(=O)NC2CC2)nn1
InChIInChI=1S/C10H16N6O2/c11-3-8-5-16(15-14-8)6-10(18)12-4-9(17)13-7-1-2-7/h5,7H,1-4,6,11H2,(H,12,18)(H,13,17)
InChIKeyCABNHFCQSCMIOW-UHFFFAOYSA-N
MW252.28 g/mol
LogP-1.87
Rot. Bonds6

About 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide

2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide (PubChem CID 115458990) has the molecular formula C10H16N6O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
PubChem CID115458990
Molecular FormulaC10H16N6O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
SMILESNCc1cn(CC(=O)NCC(=O)NC2CC2)nn1
InChIInChI=1S/C10H16N6O2/c11-3-8-5-16(15-14-8)6-10(18)12-4-9(17)13-7-1-2-7/h5,7H,1-4,6,11H2,(H,12,18)(H,13,17)
InChIKeyCABNHFCQSCMIOW-UHFFFAOYSA-N
XLogP-1.87
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
CID 115460101
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
1-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288901
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
2-[4-(hydroxymethyl)triazol-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 62400544
2-amino-3-[1-[2-(oxan-4-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735124
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
2-[4-(aminomethyl)triazol-1-yl]-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetamide
CID 115460242
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2-dimethylpropyl)acetamide
CID 115459566
2-[4-(aminomethyl)triazol-1-yl]-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 115459995

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide (CID 115458990) is 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide is NCc1cn(CC(=O)NCC(=O)NC2CC2)nn1.
What is the InChIKey of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide?
The InChIKey is CABNHFCQSCMIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O2/c11-3-8-5-16(15-14-8)6-10(18)12-4-9(17)13-7-1-2-7/h5,7H,1-4,6,11H2,(H,12,18)(H,13,17).
What are the key properties of 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide?
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide has a molecular weight of 252.28 g/mol, XLogP of -1.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 115458990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).