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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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).