3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide

C10H19N5O — CID 106228612

IUPAC3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
SMILESCCCC(N)c1cn(CCC(=O)NC)nn1
InChIInChI=1S/C10H19N5O/c1-3-4-8(11)9-7-15(14-13-9)6-5-10(16)12-2/h7-8H,3-6,11H2,1-2H3,(H,12,16)
InChIKeyOSXCNZIMAJJNRS-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.21
Rot. Bonds6

About 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide

3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide (PubChem CID 106228612) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
PubChem CID106228612
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide
SMILESCCCC(N)c1cn(CCC(=O)NC)nn1
InChIInChI=1S/C10H19N5O/c1-3-4-8(11)9-7-15(14-13-9)6-5-10(16)12-2/h7-8H,3-6,11H2,1-2H3,(H,12,16)
InChIKeyOSXCNZIMAJJNRS-UHFFFAOYSA-N
XLogP0.21
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-pentyltriazol-4-yl)butan-1-amine
CID 106228799
3-[4-(1-aminopropyl)triazol-1-yl]-N-carbamoylpropanamide
CID 106227966
1-[1-(4-methylpentyl)triazol-4-yl]butan-1-amine
CID 106228916
2-[4-(1-aminobutyl)triazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 106228683
2-[4-(1-aminobutyl)triazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 106229119
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
2-[4-(1-aminobutyl)triazol-1-yl]-N-phenylacetamide
CID 106229529
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
2-[4-(1-aminobutyl)triazol-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 106229672
2-[4-(1-aminobutyl)triazol-1-yl]-N-cyclohexylacetamide
CID 106228975
1-[1-(2-phenylethyl)triazol-4-yl]butan-1-amine
CID 106228757
methyl 1-[3-(methylamino)-3-oxopropyl]triazole-4-carboxylate
CID 103107579

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide (CID 106228612) is 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide is CCCC(N)c1cn(CCC(=O)NC)nn1.
What is the InChIKey of 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide?
The InChIKey is OSXCNZIMAJJNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-4-8(11)9-7-15(14-13-9)6-5-10(16)12-2/h7-8H,3-6,11H2,1-2H3,(H,12,16).
What are the key properties of 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide?
3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide has a molecular weight of 225.30 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminobutyl)triazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 106228612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).