2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide

C12H22N6O2 — CID 114778830

IUPAC2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
SMILESCCC(CC)NC(=O)Cn1cc(CNC(=O)CN)nn1
InChIInChI=1S/C12H22N6O2/c1-3-9(4-2)15-12(20)8-18-7-10(16-17-18)6-14-11(19)5-13/h7,9H,3-6,8,13H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyFURAWSSJFWLGIV-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.84
Rot. Bonds8

About 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide

2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide (PubChem CID 114778830) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
PubChem CID114778830
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide
SMILESCCC(CC)NC(=O)Cn1cc(CNC(=O)CN)nn1
InChIInChI=1S/C12H22N6O2/c1-3-9(4-2)15-12(20)8-18-7-10(16-17-18)6-14-11(19)5-13/h7,9H,3-6,8,13H2,1-2H3,(H,14,19)(H,15,20)
InChIKeyFURAWSSJFWLGIV-UHFFFAOYSA-N
XLogP-0.84
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[[1-(2-amino-2-oxoethyl)triazol-4-yl]methyl]acetamide
CID 114778471
2-(4-aminotriazol-1-yl)-N-pentan-3-ylacetamide
CID 165480854
2-amino-N-[[1-(5-fluoropentyl)triazol-4-yl]methyl]acetamide
CID 114280351
2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]butanoic acid
CID 113314112
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
2-amino-N-[[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778828
2-[4-(aminomethyl)triazol-1-yl]-N-(1-methoxypentan-2-yl)acetamide
CID 113314205
(2S,3R)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]-3-methylpentanoic acid
CID 155809964
2-[4-(aminomethyl)triazol-1-yl]-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 106188363
methyl (2S)-2-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]propanoate
CID 115459166
2-[4-(methylaminomethyl)triazol-1-yl]-N-pentan-2-ylacetamide
CID 66192119
2-[4-(4-aminobutyl)triazol-1-yl]-N-propan-2-ylacetamide
CID 106209238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide (CID 114778830) is 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide is CCC(CC)NC(=O)Cn1cc(CNC(=O)CN)nn1.
What is the InChIKey of 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide?
The InChIKey is FURAWSSJFWLGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-3-9(4-2)15-12(20)8-18-7-10(16-17-18)6-14-11(19)5-13/h7,9H,3-6,8,13H2,1-2H3,(H,14,19)(H,15,20).
What are the key properties of 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide?
2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide has a molecular weight of 282.35 g/mol, XLogP of -0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[2-oxo-2-(pentan-3-ylamino)ethyl]triazol-4-yl]methyl]acetamide is sourced from PubChem (CID 114778830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).