2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

C12H22N6O2 — CID 106227951

IUPAC2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCC(N)c1cn(CC(=O)NC(=O)NCC(C)C)nn1
InChIInChI=1S/C12H22N6O2/c1-4-9(13)10-6-18(17-16-10)7-11(19)15-12(20)14-5-8(2)3/h6,8-9H,4-5,7,13H2,1-3H3,(H2,14,15,19,20)
InChIKeyFHBQHGXGHHUJJY-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.17
Rot. Bonds6

About 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide

2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 106227951) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID106227951
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
SMILESCCC(N)c1cn(CC(=O)NC(=O)NCC(C)C)nn1
InChIInChI=1S/C12H22N6O2/c1-4-9(13)10-6-18(17-16-10)7-11(19)15-12(20)14-5-8(2)3/h6,8-9H,4-5,7,13H2,1-3H3,(H2,14,15,19,20)
InChIKeyFHBQHGXGHHUJJY-UHFFFAOYSA-N
XLogP0.17
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-aminopropyl)triazol-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 106228496
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 106228504
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(3-methylbutylcarbamoyl)acetamide
CID 81444411
2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 106229672
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
2-[4-(1-aminopropyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106227686
2-[4-(1-aminopropyl)triazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 106227465
2-[4-(1-aminopropyl)triazol-1-yl]-N-(5-bromo-2-pyridinyl)acetamide
CID 106227521
2-[4-(1-aminopropyl)triazol-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 106227941
2-[4-(1-hydroxyethyl)triazol-1-yl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 81444598
2-methyl-N-[1-[2-(2-methylpropylamino)-2-oxoethyl]triazol-4-yl]propanamide
CID 112520071
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methoxyphenyl)acetamide
CID 106227595

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide (CID 106227951) is 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is CCC(N)c1cn(CC(=O)NC(=O)NCC(C)C)nn1.
What is the InChIKey of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is FHBQHGXGHHUJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-9(13)10-6-18(17-16-10)7-11(19)15-12(20)14-5-8(2)3/h6,8-9H,4-5,7,13H2,1-3H3,(H2,14,15,19,20).
What are the key properties of 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide?
2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 282.35 g/mol, XLogP of 0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminopropyl)triazol-1-yl]-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 106227951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).