2,2-dimethylbutane;ethane;1H-1,2,4-triazole

C10H23N3 — CID 90843600

IUPAC2,2-dimethylbutane;ethane;1H-1,2,4-triazole
SMILESCC.CCC(C)(C)C.c1nc[nH]n1
InChIInChI=1S/C6H14.C2H3N3.C2H6/c1-5-6(2,3)4;1-3-2-5-4-1;1-2/h5H2,1-4H3;1-2H,(H,3,4,5);1-2H3
InChIKeyGTNACYCGFDMDSN-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.27
Rot. Bonds

About 2,2-dimethylbutane;ethane;1H-1,2,4-triazole

2,2-dimethylbutane;ethane;1H-1,2,4-triazole (PubChem CID 90843600) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2-dimethylbutane;ethane;1H-1,2,4-triazole.

Molecular Properties

Compound Name2,2-dimethylbutane;ethane;1H-1,2,4-triazole
PubChem CID90843600
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2,2-dimethylbutane;ethane;1H-1,2,4-triazole
SMILESCC.CCC(C)(C)C.c1nc[nH]n1
InChIInChI=1S/C6H14.C2H3N3.C2H6/c1-5-6(2,3)4;1-3-2-5-4-1;1-2/h5H2,1-4H3;1-2H,(H,3,4,5);1-2H3
InChIKeyGTNACYCGFDMDSN-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethylbutane;ethane;1H-1,2,4-triazole 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 2,2-dimethylbutane;ethane;1H-1,2,4-triazole?
The IUPAC name of 2,2-dimethylbutane;ethane;1H-1,2,4-triazole (CID 90843600) is 2,2-dimethylbutane;ethane;1H-1,2,4-triazole.
What is the SMILES notation for 2,2-dimethylbutane;ethane;1H-1,2,4-triazole?
The canonical SMILES for 2,2-dimethylbutane;ethane;1H-1,2,4-triazole is CC.CCC(C)(C)C.c1nc[nH]n1.
What is the InChIKey of 2,2-dimethylbutane;ethane;1H-1,2,4-triazole?
The InChIKey is GTNACYCGFDMDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C2H3N3.C2H6/c1-5-6(2,3)4;1-3-2-5-4-1;1-2/h5H2,1-4H3;1-2H,(H,3,4,5);1-2H3.
What are the key properties of 2,2-dimethylbutane;ethane;1H-1,2,4-triazole?
2,2-dimethylbutane;ethane;1H-1,2,4-triazole has a molecular weight of 185.31 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;ethane;1H-1,2,4-triazole is sourced from PubChem (CID 90843600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).