1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

C16H28N8 — CID 160804329

IUPAC1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
SMILESCC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1
InChIInChI=1S/C6H10N2.2C5H9N3/c1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8/h3-6H,1-2H3;2*3-5H,1-2H3
InChIKeySDMKBFZZXJKHBW-UHFFFAOYSA-N
MW332.46 g/mol
LogP3.18
Rot. Bonds3

About 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (PubChem CID 160804329) has the molecular formula C16H28N8 and a molecular weight of 332.46 g/mol. Its IUPAC name is 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.

Molecular Properties

Compound Name1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
PubChem CID160804329
Molecular FormulaC16H28N8
Molecular Weight332.46 g/mol
Exact Mass332.24
IUPAC Name1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
SMILESCC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1
InChIInChI=1S/C6H10N2.2C5H9N3/c1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8/h3-6H,1-2H3;2*3-5H,1-2H3
InChIKeySDMKBFZZXJKHBW-UHFFFAOYSA-N
XLogP3.18
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole 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

1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-amine
CID 71928254
2-[Di(pyrazol-1-yl)methyl]-1-methylimidazole
CID 85554634
4-(3-Imidazol-1-ylpropyl)-3-methyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazole
CID 50898206
1-methyl-1'-[2-(1H-pyrazol-1-yl)ethyl]-1H,1'H-2,2'-biimidazole
CID 56865144
1-(2-Pyrazol-1-ylethyl)-1,2,4-triazole
CID 14195556
1-(2-Imidazol-1-ylpropyl)pyrazole
CID 57245568
1-[2,3-Di(imidazol-1-yl)-2-methylpropyl]pyrazole
CID 57270442
1-Propan-2-yl-2-pyrazol-1-ylimidazole
CID 58415669
2-[1,1,2-Tri(pyrazol-1-yl)propyl]guanidine
CID 143585165
1-(5-Imidazol-1-yl-8-pyrazol-1-ylnonan-2-yl)-4-methylimidazole
CID 156385320
Ethane;1-methylimidazole;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 157375160

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The IUPAC name of 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (CID 160804329) is 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.
What is the SMILES notation for 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The canonical SMILES for 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is CC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1.
What is the InChIKey of 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The InChIKey is SDMKBFZZXJKHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C5H9N3/c1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8/h3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole has a molecular weight of 332.46 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is sourced from PubChem (CID 160804329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).