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

C10H18N4 — CID 107186492

IUPAC[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC1CCCC1c1nnc(CN)n1C
InChIInChI=1S/C10H18N4/c1-7-4-3-5-8(7)10-13-12-9(6-11)14(10)2/h7-8H,3-6,11H2,1-2H3
InChIKeyOHDPLGHKUMECGM-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.18
Rot. Bonds2

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

[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 107186492) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID107186492
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine
SMILESCC1CCCC1c1nnc(CN)n1C
InChIInChI=1S/C10H18N4/c1-7-4-3-5-8(7)10-13-12-9(6-11)14(10)2/h7-8H,3-6,11H2,1-2H3
InChIKeyOHDPLGHKUMECGM-UHFFFAOYSA-N
XLogP1.18
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine (CID 107186492) is [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine is CC1CCCC1c1nnc(CN)n1C.
What is the InChIKey of [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is OHDPLGHKUMECGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7-4-3-5-8(7)10-13-12-9(6-11)14(10)2/h7-8H,3-6,11H2,1-2H3.
What are the key properties of [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine?
[4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 194.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-(2-methylcyclopentyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 107186492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).