3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide

C5H6N4O2 — CID 135444356

IUPAC3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide
SMILESCc1nnc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c1-2-7-5(11)3(4(6)10)9-8-2/h1H3,(H2,6,10)(H,7,8,11)
InChIKeyVVPMGBXGTBFQPT-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.43
Rot. Bonds1

About 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide

3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide (PubChem CID 135444356) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide
PubChem CID135444356
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide
SMILESCc1nnc(C(N)=O)c(=O)[nH]1
InChIInChI=1S/C5H6N4O2/c1-2-7-5(11)3(4(6)10)9-8-2/h1H3,(H2,6,10)(H,7,8,11)
InChIKeyVVPMGBXGTBFQPT-UHFFFAOYSA-N
XLogP-1.43
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dimethyl-1,2,4-triazin-5-ol
CID 135789691
2-Methyl-4,6-pyrimidinedione
CID 580924
6-(Aminomethyl)-3-methyl-1,2,4-triazin-5(4H)-one
CID 135905331
6-(aminomethyl)-3-ethyl-4H-1,2,4-triazin-5-one
CID 137148461
3,4-Dimethyl-5-oxo-1,2,4-triazine-6-carboxamide
CID 141822465

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide (CID 135444356) is 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide is Cc1nnc(C(N)=O)c(=O)[nH]1.
What is the InChIKey of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide?
The InChIKey is VVPMGBXGTBFQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-2-7-5(11)3(4(6)10)9-8-2/h1H3,(H2,6,10)(H,7,8,11).
What are the key properties of 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide?
3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide has a molecular weight of 154.13 g/mol, XLogP of -1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-4H-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 135444356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).