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

C13H24N4 — CID 86992658

IUPAC1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
SMILESCc1nnc(CN(C)CC2CCCCC2)n1C
InChIInChI=1S/C13H24N4/c1-11-14-15-13(17(11)3)10-16(2)9-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3
InChIKeyMIAKNNCGMYSISO-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.14
Rot. Bonds4

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

1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine (PubChem CID 86992658) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
PubChem CID86992658
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine
SMILESCc1nnc(CN(C)CC2CCCCC2)n1C
InChIInChI=1S/C13H24N4/c1-11-14-15-13(17(11)3)10-16(2)9-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3
InChIKeyMIAKNNCGMYSISO-UHFFFAOYSA-N
XLogP2.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine (CID 86992658) is 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine is Cc1nnc(CN(C)CC2CCCCC2)n1C.
What is the InChIKey of 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
The InChIKey is MIAKNNCGMYSISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11-14-15-13(17(11)3)10-16(2)9-12-7-5-4-6-8-12/h12H,4-10H2,1-3H3.
What are the key properties of 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine?
1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 86992658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).