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

C11H16N6O — CID 112671881

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCc2cn(C)nc2C)n[nH]1
InChIInChI=1S/C11H16N6O/c1-4-9-13-10(15-14-9)11(18)12-5-8-6-17(3)16-7(8)2/h6H,4-5H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyRIZMBCDYNXRTSD-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.34
Rot. Bonds4

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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 112671881) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID112671881
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCc2cn(C)nc2C)n[nH]1
InChIInChI=1S/C11H16N6O/c1-4-9-13-10(15-14-9)11(18)12-5-8-6-17(3)16-7(8)2/h6H,4-5H2,1-3H3,(H,12,18)(H,13,14,15)
InChIKeyRIZMBCDYNXRTSD-UHFFFAOYSA-N
XLogP0.34
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
CID 6866652
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 56877804
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-1H-1,2,4-triazole-5-carboxamide
CID 46989908
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 86808759
2-(4-chloro-3-methylpyrazol-1-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 100089906
N,N-dimethyl-3-[1-(3-methylbutyl)-1H-pyrazol-4-yl]-1H-1,2,4-triazole-5-carboxamide
CID 121505689
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-(1H-tetrazol-1-yl)butanamide
CID 122562005
(2S)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 124754897
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125142947
(2S)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 125439336
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125522233
1-tert-butyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methyl-1,2,4-triazole-3-carboxamide
CID 137984526

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 112671881) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCc2cn(C)nc2C)n[nH]1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is RIZMBCDYNXRTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-4-9-13-10(15-14-9)11(18)12-5-8-6-17(3)16-7(8)2/h6H,4-5H2,1-3H3,(H,12,18)(H,13,14,15).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 112671881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).