7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one

C10H8N8O — CID 139216020

IUPAC7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one
SMILESNc1c(/N=N/c2ccccc2)c(=O)[nH]c2nnnn12
InChIInChI=1S/C10H8N8O/c11-8-7(14-13-6-4-2-1-3-5-6)9(19)12-10-15-16-17-18(8)10/h1-5H,11H2,(H,12,15,17,19)/b14-13+
InChIKeyBHYIMNJKUTYBQN-BUHFOSPRSA-N
MW256.23 g/mol
LogP0.81
Rot. Bonds2

About 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one

7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one (PubChem CID 139216020) has the molecular formula C10H8N8O and a molecular weight of 256.23 g/mol. Its IUPAC name is 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one
PubChem CID139216020
Molecular FormulaC10H8N8O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one
SMILESNc1c(/N=N/c2ccccc2)c(=O)[nH]c2nnnn12
InChIInChI=1S/C10H8N8O/c11-8-7(14-13-6-4-2-1-3-5-6)9(19)12-10-15-16-17-18(8)10/h1-5H,11H2,(H,12,15,17,19)/b14-13+
InChIKeyBHYIMNJKUTYBQN-BUHFOSPRSA-N
XLogP0.81
TPSA126.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135712962
5-amino-2-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 1494897
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
5-phenyldiazenyl-2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one
CID 144715291
(3,5-diamino-4-phenyldiazenylpyrazol-1-yl)-phenylmethanone
CID 135418217
diphenyldiazene;urea
CID 175083568
4-amino-3-(1H-1,2,4-triazol-5-yldiazenyl)-1H-pyrimido[1,2-a]benzimidazol-2-one
CID 136882849
5-methyl-2-phenyl-6-phenyldiazenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 139060875
3-amino-4-[(3-methoxyphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135431486
diphenyldiazene;hydrofluoride
CID 174857584
2-amino-4-[(2-oxo-4-phenylbutyl)amino]-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135692618
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one (CID 139216020) is 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one is Nc1c(/N=N/c2ccccc2)c(=O)[nH]c2nnnn12.
What is the InChIKey of 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is BHYIMNJKUTYBQN-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H8N8O/c11-8-7(14-13-6-4-2-1-3-5-6)9(19)12-10-15-16-17-18(8)10/h1-5H,11H2,(H,12,15,17,19)/b14-13+.
What are the key properties of 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one?
7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 256.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-phenyldiazenyl-4H-tetrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 139216020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).