5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide

C14H16N6O — CID 86846020

IUPAC5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC(C)Cn3cncn3)c2c1
InChIInChI=1S/C14H16N6O/c1-9-3-4-12-11(5-9)13(19-18-12)14(21)17-10(2)6-20-8-15-7-16-20/h3-5,7-8,10H,6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyCKALSSIPRYPKTF-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.28
Rot. Bonds4

About 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide

5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 86846020) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
PubChem CID86846020
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NC(C)Cn3cncn3)c2c1
InChIInChI=1S/C14H16N6O/c1-9-3-4-12-11(5-9)13(19-18-12)14(21)17-10(2)6-20-8-15-7-16-20/h3-5,7-8,10H,6H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyCKALSSIPRYPKTF-UHFFFAOYSA-N
XLogP1.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
2-(3-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 91795549
2-(4-methylphenyl)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 56911423
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037
N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 124698938
5-ethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 91782567
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
2-(benzylamino)-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]benzamide
CID 75394822

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide (CID 86846020) is 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NC(C)Cn3cncn3)c2c1.
What is the InChIKey of 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is CKALSSIPRYPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9-3-4-12-11(5-9)13(19-18-12)14(21)17-10(2)6-20-8-15-7-16-20/h3-5,7-8,10H,6H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide?
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 86846020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).