4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole

C10H21N3 — CID 146506818

IUPAC4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole
SMILESCCCCC1=C(CCC)NNN1C
InChIInChI=1S/C10H21N3/c1-4-6-8-10-9(7-5-2)11-12-13(10)3/h11-12H,4-8H2,1-3H3
InChIKeyKDUXFXQKAZDIBN-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.14
Rot. Bonds5

About 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole

4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole (PubChem CID 146506818) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole
PubChem CID146506818
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole
SMILESCCCCC1=C(CCC)NNN1C
InChIInChI=1S/C10H21N3/c1-4-6-8-10-9(7-5-2)11-12-13(10)3/h11-12H,4-8H2,1-3H3
InChIKeyKDUXFXQKAZDIBN-UHFFFAOYSA-N
XLogP2.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole 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 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole?
The IUPAC name of 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole (CID 146506818) is 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole.
What is the SMILES notation for 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole?
The canonical SMILES for 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole is CCCCC1=C(CCC)NNN1C.
What is the InChIKey of 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole?
The InChIKey is KDUXFXQKAZDIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-6-8-10-9(7-5-2)11-12-13(10)3/h11-12H,4-8H2,1-3H3.
What are the key properties of 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole?
4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole has a molecular weight of 183.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-5-propyl-1,2-dihydrotriazole is sourced from PubChem (CID 146506818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).