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

C13H22N4 — CID 61361161

IUPACN-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
SMILESCc1nnc(CNC2CC2)n1C1CCCCC1
InChIInChI=1S/C13H22N4/c1-10-15-16-13(9-14-11-7-8-11)17(10)12-5-3-2-4-6-12/h11-12,14H,2-9H2,1H3
InChIKeyZAHYERDARAHZLW-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.34
Rot. Bonds4

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

N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine (PubChem CID 61361161) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
PubChem CID61361161
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine
SMILESCc1nnc(CNC2CC2)n1C1CCCCC1
InChIInChI=1S/C13H22N4/c1-10-15-16-13(9-14-11-7-8-11)17(10)12-5-3-2-4-6-12/h11-12,14H,2-9H2,1H3
InChIKeyZAHYERDARAHZLW-UHFFFAOYSA-N
XLogP2.34
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-methoxyethanamine
CID 79272218
3-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-N-methylpropan-1-amine
CID 61362176
4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 61370950
5-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)-3,3-dimethylpentan-1-amine
CID 65285407
4-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82013658
4-cyclobutyl-N-cyclopropyl-5-(methylaminomethyl)-1,2,4-triazol-3-amine
CID 83890248
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylbutanamide
CID 86784884
2-[(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)methyl]aniline
CID 55086241
1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclobutan-1-amine
CID 79850996
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-amine
CID 86789369
4-[2-(4-cyclopentyl-5-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63875313

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine (CID 61361161) is N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine is Cc1nnc(CNC2CC2)n1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
The InChIKey is ZAHYERDARAHZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-15-16-13(9-14-11-7-8-11)17(10)12-5-3-2-4-6-12/h11-12,14H,2-9H2,1H3.
What are the key properties of N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine?
N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine has a molecular weight of 234.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61361161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).