N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine

C15H20N4 — CID 62130836

IUPACN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1nc(C)n(-c2ccc(CNC3CC3)c(C)c2)n1
InChIInChI=1S/C15H20N4/c1-10-8-15(19-12(3)17-11(2)18-19)7-4-13(10)9-16-14-5-6-14/h4,7-8,14,16H,5-6,9H2,1-3H3
InChIKeyOEXCRSZRCBHNQT-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.44
Rot. Bonds4

About N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine

N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine (PubChem CID 62130836) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
PubChem CID62130836
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
SMILESCc1nc(C)n(-c2ccc(CNC3CC3)c(C)c2)n1
InChIInChI=1S/C15H20N4/c1-10-8-15(19-12(3)17-11(2)18-19)7-4-13(10)9-16-14-5-6-14/h4,7-8,14,16H,5-6,9H2,1-3H3
InChIKeyOEXCRSZRCBHNQT-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]ethanamine
CID 62128464
N-[[4-(4-chloropyrazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 55038787
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]cyclopropanamine
CID 62294480
N-[[4-(3,5-dimethylpiperidin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 62136029
N-[[2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 61348078
N-[[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55072882
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 63633586
N-[[2-methyl-4-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 114594245
N-[[4-(4-benzylpiperazin-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 113228612
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
4-[4-[(cyclopropylamino)methyl]-3-methylphenyl]-1-methylpiperazin-2-one
CID 64694312
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine (CID 62130836) is N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine is Cc1nc(C)n(-c2ccc(CNC3CC3)c(C)c2)n1.
What is the InChIKey of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
The InChIKey is OEXCRSZRCBHNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-8-15(19-12(3)17-11(2)18-19)7-4-13(10)9-16-14-5-6-14/h4,7-8,14,16H,5-6,9H2,1-3H3.
What are the key properties of N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine?
N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine has a molecular weight of 256.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylphenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62130836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).