5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole

C9H15N3 — CID 107180025

IUPAC5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole
SMILESCc1nc(C2CCCC2C)n[nH]1
InChIInChI=1S/C9H15N3/c1-6-4-3-5-8(6)9-10-7(2)11-12-9/h6,8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyBEGZZDDTXNKMPC-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.02
Rot. Bonds1

About 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole

5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole (PubChem CID 107180025) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole
PubChem CID107180025
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole
SMILESCc1nc(C2CCCC2C)n[nH]1
InChIInChI=1S/C9H15N3/c1-6-4-3-5-8(6)9-10-7(2)11-12-9/h6,8H,3-5H2,1-2H3,(H,10,11,12)
InChIKeyBEGZZDDTXNKMPC-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-methyl-1H-1,2,4-triazol-3-yl)azepane
CID 84657592
5-methyl-3-(2-methylcyclohexyl)-1,2,4-oxadiazole
CID 126993675
cis-(1S,3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 106324400
4,6-dichloro-2-(2-methylcyclohexyl)pyrimidine
CID 130805079
2-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 115891216
1-[(3S,4S)-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]sulfonylpiperidine
CID 136584775
(1-hydroxycyclopentyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 111565424
tert-butyl (3S,4S)-3-cyclopropyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidine-1-carboxylate
CID 138055324
3-cyclohexyl-5-[3-(5-methyl-1H-1,2,4-triazol-3-yl)azetidin-1-yl]-1,2,4-thiadiazole
CID 138019483
5-(2-methylcyclopentyl)-4-propan-2-yl-1H-pyrazol-3-amine
CID 107179282
(1-cyclopentylpiperidin-4-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126448533
2-methyl-1-[5-(2-methylcyclopentyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 107176897

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole (CID 107180025) is 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole is Cc1nc(C2CCCC2C)n[nH]1.
What is the InChIKey of 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole?
The InChIKey is BEGZZDDTXNKMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6-4-3-5-8(6)9-10-7(2)11-12-9/h6,8H,3-5H2,1-2H3,(H,10,11,12).
What are the key properties of 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole?
5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylcyclopentyl)-1H-1,2,4-triazole is sourced from PubChem (CID 107180025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).