3-ethyl-4-propan-2-yl-1,2,4-triazole

C7H13N3 — CID 89030567

IUPAC3-ethyl-4-propan-2-yl-1,2,4-triazole
SMILESCCc1nncn1C(C)C
InChIInChI=1S/C7H13N3/c1-4-7-9-8-5-10(7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyHDALDPHICFMJHH-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.42
Rot. Bonds2

About 3-ethyl-4-propan-2-yl-1,2,4-triazole

3-ethyl-4-propan-2-yl-1,2,4-triazole (PubChem CID 89030567) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-ethyl-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-4-propan-2-yl-1,2,4-triazole
PubChem CID89030567
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-ethyl-4-propan-2-yl-1,2,4-triazole
SMILESCCc1nncn1C(C)C
InChIInChI=1S/C7H13N3/c1-4-7-9-8-5-10(7)6(2)3/h5-6H,4H2,1-3H3
InChIKeyHDALDPHICFMJHH-UHFFFAOYSA-N
XLogP1.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-ethyl-4-propan-2-yl-1,2,4-triazole (CID 89030567) is 3-ethyl-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-ethyl-4-propan-2-yl-1,2,4-triazole is CCc1nncn1C(C)C.
What is the InChIKey of 3-ethyl-4-propan-2-yl-1,2,4-triazole?
The InChIKey is HDALDPHICFMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-7-9-8-5-10(7)6(2)3/h5-6H,4H2,1-3H3.
What are the key properties of 3-ethyl-4-propan-2-yl-1,2,4-triazole?
3-ethyl-4-propan-2-yl-1,2,4-triazole has a molecular weight of 139.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 89030567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).