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

C12H20N6O2 — CID 115460101

IUPAC4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
SMILESNCc1cn(CC(=O)NCCCC(=O)NC2CC2)nn1
InChIInChI=1S/C12H20N6O2/c13-6-10-7-18(17-16-10)8-12(20)14-5-1-2-11(19)15-9-3-4-9/h7,9H,1-6,8,13H2,(H,14,20)(H,15,19)
InChIKeyXHYPOSXGVFKHOZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.09
Rot. Bonds8

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

4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide (PubChem CID 115460101) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
PubChem CID115460101
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC Name4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide
SMILESNCc1cn(CC(=O)NCCCC(=O)NC2CC2)nn1
InChIInChI=1S/C12H20N6O2/c13-6-10-7-18(17-16-10)8-12(20)14-5-1-2-11(19)15-9-3-4-9/h7,9H,1-6,8,13H2,(H,14,20)(H,15,19)
InChIKeyXHYPOSXGVFKHOZ-UHFFFAOYSA-N
XLogP-1.09
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylacetamide
CID 115458990
2-[4-(aminomethyl)triazol-1-yl]-N-cyclooctylacetamide
CID 115458881
2-[4-(aminomethyl)triazol-1-yl]-N-cycloheptylacetamide
CID 55029706
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
2-[4-(aminomethyl)triazol-1-yl]-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 115459604
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(4-methylcyclohexyl)ethyl]acetamide
CID 115459933
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
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
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
2-[4-(aminomethyl)triazol-1-yl]-N-(3-methylbut-2-enyl)acetamide
CID 106186838
2-[4-(aminomethyl)triazol-1-yl]-N-(2-methylcyclopentyl)acetamide
CID 115459863

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide (CID 115460101) is 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide is NCc1cn(CC(=O)NCCCC(=O)NC2CC2)nn1.
What is the InChIKey of 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide?
The InChIKey is XHYPOSXGVFKHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c13-6-10-7-18(17-16-10)8-12(20)14-5-1-2-11(19)15-9-3-4-9/h7,9H,1-6,8,13H2,(H,14,20)(H,15,19).
What are the key properties of 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide?
4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide has a molecular weight of 280.33 g/mol, XLogP of -1.09, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 115460101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).