4-butan-2-yl-5-butyltriazol-1-amine;ethane

C12H26N4 — CID 163268713

IUPAC4-butan-2-yl-5-butyltriazol-1-amine;ethane
SMILESCC.CCCCc1c(C(C)CC)nnn1N
InChIInChI=1S/C10H20N4.C2H6/c1-4-6-7-9-10(8(3)5-2)12-13-14(9)11;1-2/h8H,4-7,11H2,1-3H3;1-2H3
InChIKeyGWTDXHICXAMAGM-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.87
Rot. Bonds5

About 4-butan-2-yl-5-butyltriazol-1-amine;ethane

4-butan-2-yl-5-butyltriazol-1-amine;ethane (PubChem CID 163268713) has the molecular formula C12H26N4 and a molecular weight of 226.37 g/mol. Its IUPAC name is 4-butan-2-yl-5-butyltriazol-1-amine;ethane.

Molecular Properties

Compound Name4-butan-2-yl-5-butyltriazol-1-amine;ethane
PubChem CID163268713
Molecular FormulaC12H26N4
Molecular Weight226.37 g/mol
Exact Mass226.22
IUPAC Name4-butan-2-yl-5-butyltriazol-1-amine;ethane
SMILESCC.CCCCc1c(C(C)CC)nnn1N
InChIInChI=1S/C10H20N4.C2H6/c1-4-6-7-9-10(8(3)5-2)12-13-14(9)11;1-2/h8H,4-7,11H2,1-3H3;1-2H3
InChIKeyGWTDXHICXAMAGM-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-butan-2-yl-5-butyltriazol-1-amine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

5-butyl-1-propan-2-yl-4-propyltriazole
CID 69388505
5-butyl-1-propan-2-yltriazole-4-carbonitrile
CID 69381786
1-butyl-4-propan-2-yl-5-propyltriazole
CID 69385473
4,5-di(propan-2-yl)triazol-1-amine
CID 141208194
5-butan-2-yl-3-butyl-1-methylpyrazol-4-ol
CID 166083008
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
5-butyl-2-methyltetrazole;ethane
CID 144800630
3-butan-2-yl-2-butyl-1-methylindole
CID 134480069
5-butyl-4-chloro-1-propyltriazole
CID 69384361
5-butyl-4-fluoro-1-propyltriazole
CID 69382528
1-butan-2-yl-2-butylbenzene;ethane;propane
CID 144927563
5-butyl-4-tert-butyl-1-ethyltriazole
CID 69386052

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-5-butyltriazol-1-amine;ethane?
The IUPAC name of 4-butan-2-yl-5-butyltriazol-1-amine;ethane (CID 163268713) is 4-butan-2-yl-5-butyltriazol-1-amine;ethane.
What is the SMILES notation for 4-butan-2-yl-5-butyltriazol-1-amine;ethane?
The canonical SMILES for 4-butan-2-yl-5-butyltriazol-1-amine;ethane is CC.CCCCc1c(C(C)CC)nnn1N.
What is the InChIKey of 4-butan-2-yl-5-butyltriazol-1-amine;ethane?
The InChIKey is GWTDXHICXAMAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4.C2H6/c1-4-6-7-9-10(8(3)5-2)12-13-14(9)11;1-2/h8H,4-7,11H2,1-3H3;1-2H3.
What are the key properties of 4-butan-2-yl-5-butyltriazol-1-amine;ethane?
4-butan-2-yl-5-butyltriazol-1-amine;ethane has a molecular weight of 226.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-5-butyltriazol-1-amine;ethane is sourced from PubChem (CID 163268713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).