6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one

C7H11N5O — CID 135443175

IUPAC6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one
SMILESCC(C)=NNc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C7H11N5O/c1-4(2)9-11-7-8-6(13)5(3)10-12-7/h1-3H3,(H2,8,11,12,13)
InChIKeySZXSISGAJHVLAG-UHFFFAOYSA-N
MW181.20 g/mol
LogP0.28
Rot. Bonds2

About 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one

6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one (PubChem CID 135443175) has the molecular formula C7H11N5O and a molecular weight of 181.20 g/mol. Its IUPAC name is 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one
PubChem CID135443175
Molecular FormulaC7H11N5O
Molecular Weight181.20 g/mol
Exact Mass181.10
IUPAC Name6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one
SMILESCC(C)=NNc1nnc(C)c(=O)[nH]1
InChIInChI=1S/C7H11N5O/c1-4(2)9-11-7-8-6(13)5(3)10-12-7/h1-3H3,(H2,8,11,12,13)
InChIKeySZXSISGAJHVLAG-UHFFFAOYSA-N
XLogP0.28
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one?
The IUPAC name of 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one (CID 135443175) is 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one?
The canonical SMILES for 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one is CC(C)=NNc1nnc(C)c(=O)[nH]1.
What is the InChIKey of 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one?
The InChIKey is SZXSISGAJHVLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O/c1-4(2)9-11-7-8-6(13)5(3)10-12-7/h1-3H3,(H2,8,11,12,13).
What are the key properties of 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one?
6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one has a molecular weight of 181.20 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-propan-2-ylidenehydrazinyl)-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135443175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).