3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

C14H19N5O — CID 136914740

IUPAC3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)[nH]c1=O
InChIInChI=1S/C14H19N5O/c1-8-12(20)16-13(19-17-8)18-15-7-9-4-5-10-6-11(9)14(10,2)3/h4,7,10-11H,5-6H2,1-3H3,(H2,16,18,19,20)/b15-7-/t10-,11+/m0/s1
InChIKeyHKHMGKUIFFMBTM-AXAHTVNUSA-N
MW273.34 g/mol
LogP1.86
Rot. Bonds3

About 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one

3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 136914740) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID136914740
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCc1nnc(N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)[nH]c1=O
InChIInChI=1S/C14H19N5O/c1-8-12(20)16-13(19-17-8)18-15-7-9-4-5-10-6-11(9)14(10,2)3/h4,7,10-11H,5-6H2,1-3H3,(H2,16,18,19,20)/b15-7-/t10-,11+/m0/s1
InChIKeyHKHMGKUIFFMBTM-AXAHTVNUSA-N
XLogP1.86
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.86
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'}

Analyze 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one with MolForge

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Related Compounds

N-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 129420595
N-[(E)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]-2,3,5,6-tetrafluoropyridin-4-amine
CID 97021869
6-methyl-3-[2-(pyridin-4-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135435472
6-methyl-3-[2-[(4-propan-2-ylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135402301
N-[(Z)-[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]cyclopropanecarboxamide
CID 11919594
6-methyl-3-[(2E)-2-[(2,4,6-trimethylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135982649
6-methyl-3-[2-(thiophen-2-ylmethylidene)hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135539351
6-[2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]pyridine-3-sulfonamide
CID 129432077
6-methyl-3-[(2Z)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135598845
3-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135537340
3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135399287
N-[(Z)-[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylideneamino]pyridine-4-carboxamide
CID 98390251

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one (CID 136914740) is 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is Cc1nnc(N/N=C\C2=CC[C@H]3C[C@H]2C3(C)C)[nH]c1=O.
What is the InChIKey of 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is HKHMGKUIFFMBTM-AXAHTVNUSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8-12(20)16-13(19-17-8)18-15-7-9-4-5-10-6-11(9)14(10,2)3/h4,7,10-11H,5-6H2,1-3H3,(H2,16,18,19,20)/b15-7-/t10-,11+/m0/s1.
What are the key properties of 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one?
3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 273.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[(1S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 136914740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).