3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide

C14H18ClN5O — CID 81070411

IUPAC3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(Cl)c1-n1cncn1
InChIInChI=1S/C14H18ClN5O/c1-2-10(7-16)6-13(21)19-12-5-3-4-11(15)14(12)20-9-17-8-18-20/h3-5,8-10H,2,6-7,16H2,1H3,(H,19,21)
InChIKeyLYCNUKNQBQMNFU-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.23
Rot. Bonds6

About 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide

3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide (PubChem CID 81070411) has the molecular formula C14H18ClN5O and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
PubChem CID81070411
Molecular FormulaC14H18ClN5O
Molecular Weight307.78 g/mol
Exact Mass307.12
IUPAC Name3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1cccc(Cl)c1-n1cncn1
InChIInChI=1S/C14H18ClN5O/c1-2-10(7-16)6-13(21)19-12-5-3-4-11(15)14(12)20-9-17-8-18-20/h3-5,8-10H,2,6-7,16H2,1H3,(H,19,21)
InChIKeyLYCNUKNQBQMNFU-UHFFFAOYSA-N
XLogP2.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethoxy)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 79473828
5-[3-chloro-2-(1,2,4-triazol-1-yl)anilino]-5-oxopentanoic acid
CID 60940339
2-[3-(aminomethyl)pentanoylamino]-6-chlorobenzoic acid
CID 81079723
(2S)-2-amino-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-4-methylsulfanylbutanamide
CID 61178604
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methoxy-2-methylpropanamide
CID 103028879
3-chloro-N-methyl-2-(1,2,4-triazol-1-yl)aniline
CID 63090210
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 55609950
N-[3-[3-chloro-2-(1,2,4-triazol-1-yl)anilino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47029762
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48576005
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 55609681
3-amino-N-(3-chloro-2-pyrazol-1-ylphenyl)butanamide
CID 54862473
3-[(4-bromophenyl)carbamoylamino]-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]propanamide
CID 55774971

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide (CID 81070411) is 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide is CCC(CN)CC(=O)Nc1cccc(Cl)c1-n1cncn1.
What is the InChIKey of 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
The InChIKey is LYCNUKNQBQMNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5O/c1-2-10(7-16)6-13(21)19-12-5-3-4-11(15)14(12)20-9-17-8-18-20/h3-5,8-10H,2,6-7,16H2,1H3,(H,19,21).
What are the key properties of 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide?
3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide has a molecular weight of 307.78 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 81070411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).