6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide

C12H16N4O — CID 76846414

IUPAC6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
SMILESCc1cc2cn[nH]c2c(C(=O)NC(C)C)c1N
InChIInChI=1S/C12H16N4O/c1-6(2)15-12(17)9-10(13)7(3)4-8-5-14-16-11(8)9/h4-6H,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyZPWJRUGKTMTLRV-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.59
Rot. Bonds2

About 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide

6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide (PubChem CID 76846414) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
PubChem CID76846414
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide
SMILESCc1cc2cn[nH]c2c(C(=O)NC(C)C)c1N
InChIInChI=1S/C12H16N4O/c1-6(2)15-12(17)9-10(13)7(3)4-8-5-14-16-11(8)9/h4-6H,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyZPWJRUGKTMTLRV-UHFFFAOYSA-N
XLogP1.59
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
The IUPAC name of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide (CID 76846414) is 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide.
What is the SMILES notation for 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
The canonical SMILES for 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide is Cc1cc2cn[nH]c2c(C(=O)NC(C)C)c1N.
What is the InChIKey of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
The InChIKey is ZPWJRUGKTMTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-6(2)15-12(17)9-10(13)7(3)4-8-5-14-16-11(8)9/h4-6H,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide?
6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-methyl-N-propan-2-yl-1H-indazole-7-carboxamide is sourced from PubChem (CID 76846414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).