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

C13H24N4 — CID 63243673

IUPACN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCc1nnc(CNCC2CCC(C)CC2)n1C
InChIInChI=1S/C13H24N4/c1-10-4-6-12(7-5-10)8-14-9-13-16-15-11(2)17(13)3/h10,12,14H,4-9H2,1-3H3
InChIKeyKEPWAZDEOGUYAX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.04
Rot. Bonds4

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

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine (PubChem CID 63243673) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
PubChem CID63243673
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
SMILESCc1nnc(CNCC2CCC(C)CC2)n1C
InChIInChI=1S/C13H24N4/c1-10-4-6-12(7-5-10)8-14-9-13-16-15-11(2)17(13)3/h10,12,14H,4-9H2,1-3H3
InChIKeyKEPWAZDEOGUYAX-UHFFFAOYSA-N
XLogP2.04
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The IUPAC name of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine (CID 63243673) is N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine.
What is the SMILES notation for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The canonical SMILES for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine is Cc1nnc(CNCC2CCC(C)CC2)n1C.
What is the InChIKey of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
The InChIKey is KEPWAZDEOGUYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-4-6-12(7-5-10)8-14-9-13-16-15-11(2)17(13)3/h10,12,14H,4-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine?
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine has a molecular weight of 236.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine is sourced from PubChem (CID 63243673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).