3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole

C9H15N3 — CID 123853374

IUPAC3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC1CC1c1ncn(C(C)C)n1
InChIInChI=1S/C9H15N3/c1-6(2)12-5-10-9(11-12)8-4-7(8)3/h5-8H,4H2,1-3H3
InChIKeyJQISAAKSRHANMZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.98
Rot. Bonds2

About 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole

3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 123853374) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole
PubChem CID123853374
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC1CC1c1ncn(C(C)C)n1
InChIInChI=1S/C9H15N3/c1-6(2)12-5-10-9(11-12)8-4-7(8)3/h5-8H,4H2,1-3H3
InChIKeyJQISAAKSRHANMZ-UHFFFAOYSA-N
XLogP1.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-4-methyl-4H-1,2,4-triazole
CID 46318327
5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
5-Cyclopropyl-1-methyl-1,2,4-triazole
CID 15496057
5-cyclobutyl-1-cyclohexyl-3-cyclopropyl-1H-1,2,4-triazole
CID 131941557
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
3-(2-Fluoropropan-2-yl)-1-propan-2-yl-1,2,4-triazole
CID 134536518
5-(1-Fluorocyclopropyl)-3-methyl-1-propan-2-yl-1,2,4-triazole
CID 146511988
1-Ethyl-5-(1-fluorocyclopropyl)-1,2,4-triazole
CID 146512196
5-(1-Fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole
CID 146512480
1-(1,1-Difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole
CID 157030837
5-Propan-2-yl-1-(1,1,1-trifluoropropan-2-yl)-1,2,4-triazole
CID 157031265
1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole
CID 166500176

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole (CID 123853374) is 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole is CC1CC1c1ncn(C(C)C)n1.
What is the InChIKey of 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is JQISAAKSRHANMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)12-5-10-9(11-12)8-4-7(8)3/h5-8H,4H2,1-3H3.
What are the key properties of 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole?
3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 123853374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).