3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

C12H20N4O — CID 62669622

IUPAC3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCC(CN)C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H20N4O/c1-8(6-13)12(17)15-10-4-3-5-11-9(10)7-14-16(11)2/h7-8,10H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyMBRBYIPZCITPFK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.51
Rot. Bonds3

About 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide

3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (PubChem CID 62669622) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
PubChem CID62669622
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
SMILESCC(CN)C(=O)NC1CCCc2c1cnn2C
InChIInChI=1S/C12H20N4O/c1-8(6-13)12(17)15-10-4-3-5-11-9(10)7-14-16(11)2/h7-8,10H,3-6,13H2,1-2H3,(H,15,17)
InChIKeyMBRBYIPZCITPFK-UHFFFAOYSA-N
XLogP0.51
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide 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 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The IUPAC name of 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide (CID 62669622) is 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The canonical SMILES for 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is CC(CN)C(=O)NC1CCCc2c1cnn2C.
What is the InChIKey of 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
The InChIKey is MBRBYIPZCITPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(6-13)12(17)15-10-4-3-5-11-9(10)7-14-16(11)2/h7-8,10H,3-6,13H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide?
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide is sourced from PubChem (CID 62669622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).