N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide

C9H15N5O — CID 63888380

IUPACN-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
SMILESNCC1(NC(=O)c2cn[nH]n2)CCCC1
InChIInChI=1S/C9H15N5O/c10-6-9(3-1-2-4-9)12-8(15)7-5-11-14-13-7/h5H,1-4,6,10H2,(H,12,15)(H,11,13,14)
InChIKeyGXEPBGKKLCZMKU-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.19
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide (PubChem CID 63888380) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
PubChem CID63888380
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide
SMILESNCC1(NC(=O)c2cn[nH]n2)CCCC1
InChIInChI=1S/C9H15N5O/c10-6-9(3-1-2-4-9)12-8(15)7-5-11-14-13-7/h5H,1-4,6,10H2,(H,12,15)(H,11,13,14)
InChIKeyGXEPBGKKLCZMKU-UHFFFAOYSA-N
XLogP-0.19
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide (CID 63888380) is N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide is NCC1(NC(=O)c2cn[nH]n2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide?
The InChIKey is GXEPBGKKLCZMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-6-9(3-1-2-4-9)12-8(15)7-5-11-14-13-7/h5H,1-4,6,10H2,(H,12,15)(H,11,13,14).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide has a molecular weight of 209.25 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 63888380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).