1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane

C9H19N3 — CID 145338154

IUPAC1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane
SMILESCC.Cc1nc(C(C)C)n(C)n1
InChIInChI=1S/C7H13N3.C2H6/c1-5(2)7-8-6(3)9-10(7)4;1-2/h5H,1-4H3;1-2H3
InChIKeyRDJDHJQDNXBMIP-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.27
Rot. Bonds1

About 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane

1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane (PubChem CID 145338154) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane.

Molecular Properties

Compound Name1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane
PubChem CID145338154
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane
SMILESCC.Cc1nc(C(C)C)n(C)n1
InChIInChI=1S/C7H13N3.C2H6/c1-5(2)7-8-6(3)9-10(7)4;1-2/h5H,1-4H3;1-2H3
InChIKeyRDJDHJQDNXBMIP-UHFFFAOYSA-N
XLogP2.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane?
The IUPAC name of 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane (CID 145338154) is 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane.
What is the SMILES notation for 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane?
The canonical SMILES for 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane is CC.Cc1nc(C(C)C)n(C)n1.
What is the InChIKey of 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane?
The InChIKey is RDJDHJQDNXBMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.C2H6/c1-5(2)7-8-6(3)9-10(7)4;1-2/h5H,1-4H3;1-2H3.
What are the key properties of 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane?
1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane has a molecular weight of 169.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane is sourced from PubChem (CID 145338154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).