3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide

C10H17N5O — CID 66010021

IUPAC3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1cnnc1CNC(=O)C1CCC(N)C1
InChIInChI=1S/C10H17N5O/c1-15-6-13-14-9(15)5-12-10(16)7-2-3-8(11)4-7/h6-8H,2-5,11H2,1H3,(H,12,16)
InChIKeyLGGNNASRCVUURC-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.44
Rot. Bonds3

About 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 66010021) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID66010021
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1cnnc1CNC(=O)C1CCC(N)C1
InChIInChI=1S/C10H17N5O/c1-15-6-13-14-9(15)5-12-10(16)7-2-3-8(11)4-7/h6-8H,2-5,11H2,1H3,(H,12,16)
InChIKeyLGGNNASRCVUURC-UHFFFAOYSA-N
XLogP-0.44
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 103813782
2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 82237375
(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 154817209
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 78983059
3-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119727673
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 54896049
3-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119833088
3-amino-N-[(4,6-dimethylpyrimidin-2-yl)methyl]cyclopentane-1-carboxamide
CID 156609240
3-amino-N-[(4-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66033053
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azepane-1-carboxamide
CID 115584088

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 66010021) is 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide is Cn1cnnc1CNC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is LGGNNASRCVUURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-6-13-14-9(15)5-12-10(16)7-2-3-8(11)4-7/h6-8H,2-5,11H2,1H3,(H,12,16).
What are the key properties of 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66010021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).