N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C14H16N6O2 — CID 157017185

IUPACN-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)c1nn(C)c(=O)[nH]1)nn2C
InChIInChI=1S/C14H16N6O2/c1-8-4-5-11-9(6-8)10(17-19(11)2)7-15-13(21)12-16-14(22)20(3)18-12/h4-6H,7H2,1-3H3,(H,15,21)(H,16,18,22)
InChIKeyCIUSHDSTVXHUPT-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.23
Rot. Bonds3

About N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 157017185) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID157017185
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCc1ccc2c(c1)c(CNC(=O)c1nn(C)c(=O)[nH]1)nn2C
InChIInChI=1S/C14H16N6O2/c1-8-4-5-11-9(6-8)10(17-19(11)2)7-15-13(21)12-16-14(22)20(3)18-12/h4-6H,7H2,1-3H3,(H,15,21)(H,16,18,22)
InChIKeyCIUSHDSTVXHUPT-UHFFFAOYSA-N
XLogP0.23
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylindazol-3-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122558835
N-[(1,5-dimethylindazol-3-yl)methyl]-2,6-difluoro-4-methoxybenzamide
CID 91795003
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172664883
1-(cyclopropanecarbonyl)-N-[(1,5-dimethylindazol-3-yl)methyl]piperidine-4-carboxamide
CID 72852922
1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849749
N-[(1,5-dimethylindazol-3-yl)methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91782573
1-cyclopropyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70775694
(3S)-N-[(1,5-dimethylindazol-3-yl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97187456
N-[(1,5-dimethylindazol-3-yl)methyl]cyclohex-3-ene-1-carboxamide
CID 122563829
2-amino-N-[(1,5-dimethylindazol-3-yl)methyl]-3-ethylimidazo[4,5-b]pyridine-6-carboxamide
CID 70706243
(3R)-1-cyclopentyl-N-[(1,5-dimethylindazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97118436
N-[(2-fluorophenyl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849754

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 157017185) is N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cc1ccc2c(c1)c(CNC(=O)c1nn(C)c(=O)[nH]1)nn2C.
What is the InChIKey of N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is CIUSHDSTVXHUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c1-8-4-5-11-9(6-8)10(17-19(11)2)7-15-13(21)12-16-14(22)20(3)18-12/h4-6H,7H2,1-3H3,(H,15,21)(H,16,18,22).
What are the key properties of N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylindazol-3-yl)methyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 157017185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).