1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide

C15H19N5O — CID 81485494

IUPAC1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCCC1
InChIInChI=1S/C15H19N5O/c16-11-15(7-1-2-8-15)14(21)19-12-3-5-13(6-4-12)20-17-9-10-18-20/h3-6,9-10H,1-2,7-8,11,16H2,(H,19,21)
InChIKeySMQBCVFXRXXQPG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds4

About 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide (PubChem CID 81485494) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
PubChem CID81485494
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCCC1
InChIInChI=1S/C15H19N5O/c16-11-15(7-1-2-8-15)14(21)19-12-3-5-13(6-4-12)20-17-9-10-18-20/h3-6,9-10H,1-2,7-8,11,16H2,(H,19,21)
InChIKeySMQBCVFXRXXQPG-UHFFFAOYSA-N
XLogP1.72
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(aminomethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 80587391
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1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715476
1-(aminomethyl)-N-(4-bromophenyl)cyclopentane-1-carboxamide;hydrochloride
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3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
1-(aminomethyl)-N-(4-methylsulfanylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119694256
1-(aminomethyl)-N-[4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119700920
1-(aminomethyl)-N-pyrimidin-5-ylcyclopentane-1-carboxamide
CID 107588384
1-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]cyclobutane-1-carboxamide
CID 115448437
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-N-tert-butylbenzamide
CID 119703087

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide (CID 81485494) is 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide is NCC1(C(=O)Nc2ccc(-n3nccn3)cc2)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is SMQBCVFXRXXQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-11-15(7-1-2-8-15)14(21)19-12-3-5-13(6-4-12)20-17-9-10-18-20/h3-6,9-10H,1-2,7-8,11,16H2,(H,19,21).
What are the key properties of 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[4-(triazol-2-yl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81485494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).