N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine

C13H15ClN4 — CID 66205065

IUPACN-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(Cl)ccc1-n1cc(CNC2CC2)nn1
InChIInChI=1S/C13H15ClN4/c1-9-6-10(14)2-5-13(9)18-8-12(16-17-18)7-15-11-3-4-11/h2,5-6,8,11,15H,3-4,7H2,1H3
InChIKeyZJERAADHWMKTGQ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.48
Rot. Bonds4

About N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66205065) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66205065
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC NameN-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCc1cc(Cl)ccc1-n1cc(CNC2CC2)nn1
InChIInChI=1S/C13H15ClN4/c1-9-6-10(14)2-5-13(9)18-8-12(16-17-18)7-15-11-3-4-11/h2,5-6,8,11,15H,3-4,7H2,1H3
InChIKeyZJERAADHWMKTGQ-UHFFFAOYSA-N
XLogP2.48
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)-N-(pyridin-4-ylmethyl)aniline
CID 44565142
1-(4-Chlorophenyl)-4-phenyl-1H-1,2,3-triazole
CID 16664256
1-[(3-Chlorophenyl)methyl]-4-hexyl-triazole
CID 60145055
1-[[1-(4-Chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
CID 155531907
5-Chloro-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2,3-dihydroindole
CID 155552818
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]cyclohexanamine
CID 156015281
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-phenylmethanamine
CID 156016850
N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-1-piperidin-4-ylmethanamine
CID 171352944
N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]cycloheptanamine
CID 177371618
trans-(1R,2S)-N-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-2-(3,4-difluorophenyl)cyclopropan-1-amine;hydrochloride
CID 177649261
1-[1-(3-Chlorophenyl)-1,2,3-triazol-4-yl]cyclohexan-1-amine
CID 46949848
7-chloro-N-methyl-5-(1H-triazol-5-yl)-3H-1,4-benzodiazepin-2-amine
CID 135482270

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine (CID 66205065) is N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine is Cc1cc(Cl)ccc1-n1cc(CNC2CC2)nn1.
What is the InChIKey of N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZJERAADHWMKTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-9-6-10(14)2-5-13(9)18-8-12(16-17-18)7-15-11-3-4-11/h2,5-6,8,11,15H,3-4,7H2,1H3.
What are the key properties of N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 262.74 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chloro-2-methylphenyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66205065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).