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

C12H22N4 — CID 63822774

IUPAC1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCc1nnc(CNCC2(C)CCCC2)n1C
InChIInChI=1S/C12H22N4/c1-10-14-15-11(16(10)3)8-13-9-12(2)6-4-5-7-12/h13H,4-9H2,1-3H3
InChIKeyRHGYHDAJHRHGPM-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.79
Rot. Bonds4

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

1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine (PubChem CID 63822774) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
PubChem CID63822774
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
SMILESCc1nnc(CNCC2(C)CCCC2)n1C
InChIInChI=1S/C12H22N4/c1-10-14-15-11(16(10)3)8-13-9-12(2)6-4-5-7-12/h13H,4-9H2,1-3H3
InChIKeyRHGYHDAJHRHGPM-UHFFFAOYSA-N
XLogP1.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The IUPAC name of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine (CID 63822774) is 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine.
What is the SMILES notation for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The canonical SMILES for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine is Cc1nnc(CNCC2(C)CCCC2)n1C.
What is the InChIKey of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
The InChIKey is RHGYHDAJHRHGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-14-15-11(16(10)3)8-13-9-12(2)6-4-5-7-12/h13H,4-9H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine?
1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,2,4-triazol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine is sourced from PubChem (CID 63822774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).