3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole

C9H15N3 — CID 18989691

IUPAC3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nc(C2CC2)nn1C
InChIInChI=1S/C9H15N3/c1-6(2)9-10-8(7-4-5-7)11-12(9)3/h6-7H,4-5H2,1-3H3
InChIKeyXCBRUDZEKXDPJL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.82
Rot. Bonds2

About 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole

3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 18989691) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
PubChem CID18989691
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1nc(C2CC2)nn1C
InChIInChI=1S/C9H15N3/c1-6(2)9-10-8(7-4-5-7)11-12(9)3/h6-7H,4-5H2,1-3H3
InChIKeyXCBRUDZEKXDPJL-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole (CID 18989691) is 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1nc(C2CC2)nn1C.
What is the InChIKey of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is XCBRUDZEKXDPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-6(2)9-10-8(7-4-5-7)11-12(9)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole?
3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 18989691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).