2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide

C11H19N5O — CID 55029520

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)n1cc(CN)nn1
InChIInChI=1S/C11H19N5O/c1-8(16-7-10(6-12)14-15-16)11(17)13-9-4-2-3-5-9/h7-9H,2-6,12H2,1H3,(H,13,17)
InChIKeyIXHFUAHMWIUVAF-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.36
Rot. Bonds4

About 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide

2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide (PubChem CID 55029520) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide
PubChem CID55029520
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide
SMILESCC(C(=O)NC1CCCC1)n1cc(CN)nn1
InChIInChI=1S/C11H19N5O/c1-8(16-7-10(6-12)14-15-16)11(17)13-9-4-2-3-5-9/h7-9H,2-6,12H2,1H3,(H,13,17)
InChIKeyIXHFUAHMWIUVAF-UHFFFAOYSA-N
XLogP0.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide (CID 55029520) is 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide is CC(C(=O)NC1CCCC1)n1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide?
The InChIKey is IXHFUAHMWIUVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(16-7-10(6-12)14-15-16)11(17)13-9-4-2-3-5-9/h7-9H,2-6,12H2,1H3,(H,13,17).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide?
2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide has a molecular weight of 237.31 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-cyclopentylpropanamide is sourced from PubChem (CID 55029520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).