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

C8H10N6O2 — CID 166213773

IUPACN-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCn1cncc1CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N6O2/c1-14-4-9-2-5(14)3-10-7(15)6-11-8(16)13-12-6/h2,4H,3H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyNCTKQTFYALUCOW-UHFFFAOYSA-N
MW222.21 g/mol
LogP-1.24
Rot. Bonds3

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

N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (PubChem CID 166213773) has the molecular formula C8H10N6O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
PubChem CID166213773
Molecular FormulaC8H10N6O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
SMILESCn1cncc1CNC(=O)c1n[nH]c(=O)[nH]1
InChIInChI=1S/C8H10N6O2/c1-14-4-9-2-5(14)3-10-7(15)6-11-8(16)13-12-6/h2,4H,3H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyNCTKQTFYALUCOW-UHFFFAOYSA-N
XLogP-1.24
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide (CID 166213773) is N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is Cn1cncc1CNC(=O)c1n[nH]c(=O)[nH]1.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
The InChIKey is NCTKQTFYALUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2/c1-14-4-9-2-5(14)3-10-7(15)6-11-8(16)13-12-6/h2,4H,3H2,1H3,(H,10,15)(H2,11,12,13,16).
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide?
N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide has a molecular weight of 222.21 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 166213773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).