3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole

C10H17N3 — CID 115395495

IUPAC3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1C1CC1C
InChIInChI=1S/C10H17N3/c1-7(2)5-13-6-11-12-10(13)9-4-8(9)3/h6-9H,4-5H2,1-3H3
InChIKeyKTPSCQZKSUAMQY-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.06
Rot. Bonds3

About 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole

3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole (PubChem CID 115395495) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole
PubChem CID115395495
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole
SMILESCC(C)Cn1cnnc1C1CC1C
InChIInChI=1S/C10H17N3/c1-7(2)5-13-6-11-12-10(13)9-4-8(9)3/h6-9H,4-5H2,1-3H3
InChIKeyKTPSCQZKSUAMQY-UHFFFAOYSA-N
XLogP2.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexan-1-amine
CID 64817796
3-cyclobutyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395675
3-cyclohexyl-4-(2-methylpropyl)-1,2,4-triazole
CID 115395572
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
5-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]oxolane-2-carboxylic acid
CID 102690270
4-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane
CID 172908923
3-(chloromethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 22938731
3-(azetidin-3-ylmethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 64610440
3-(1-methylcyclopentyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395553
[4-methyl-1-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]cyclohexyl]methanamine
CID 115443142
3-(1,1-difluoroethyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 130702263
2-[[(2R)-2-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyrrolidin-1-yl]methyl]pyridine
CID 95633051

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole?
The IUPAC name of 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole (CID 115395495) is 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole.
What is the SMILES notation for 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole?
The canonical SMILES for 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole is CC(C)Cn1cnnc1C1CC1C.
What is the InChIKey of 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole?
The InChIKey is KTPSCQZKSUAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)5-13-6-11-12-10(13)9-4-8(9)3/h6-9H,4-5H2,1-3H3.
What are the key properties of 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole?
3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole has a molecular weight of 179.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)-4-(2-methylpropyl)-1,2,4-triazole is sourced from PubChem (CID 115395495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).