1-cyclobutyl-5-propan-2-yl-1,2,4-triazole

C9H15N3 — CID 122644568

IUPAC1-cyclobutyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1C1CCC1
InChIInChI=1S/C9H15N3/c1-7(2)9-10-6-11-12(9)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyDDIYIGWZZJPRLY-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.13
Rot. Bonds2

About 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole

1-cyclobutyl-5-propan-2-yl-1,2,4-triazole (PubChem CID 122644568) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclobutyl-5-propan-2-yl-1,2,4-triazole
PubChem CID122644568
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-cyclobutyl-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1C1CCC1
InChIInChI=1S/C9H15N3/c1-7(2)9-10-6-11-12(9)8-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKeyDDIYIGWZZJPRLY-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole (CID 122644568) is 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole is CC(C)c1ncnn1C1CCC1.
What is the InChIKey of 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole?
The InChIKey is DDIYIGWZZJPRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)9-10-6-11-12(9)8-4-3-5-8/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole?
1-cyclobutyl-5-propan-2-yl-1,2,4-triazole has a molecular weight of 165.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 122644568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).