phenylmethanimine;2H-tetrazole

C8H9N5 — CID 158034084

IUPACphenylmethanimine;2H-tetrazole
SMILES[H]/N=C/c1ccccc1.c1nn[nH]n1
InChIInChI=1S/C7H7N.CH2N4/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6,8H;1H,(H,2,3,4,5)/b8-6+;
InChIKeyFHNMPCCUMHHXQY-WVLIHFOGSA-N
MW175.19 g/mol
LogP0.88
Rot. Bonds1

About phenylmethanimine;2H-tetrazole

phenylmethanimine;2H-tetrazole (PubChem CID 158034084) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is phenylmethanimine;2H-tetrazole.

Molecular Properties

Compound Namephenylmethanimine;2H-tetrazole
PubChem CID158034084
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Namephenylmethanimine;2H-tetrazole
SMILES[H]/N=C/c1ccccc1.c1nn[nH]n1
InChIInChI=1S/C7H7N.CH2N4/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6,8H;1H,(H,2,3,4,5)/b8-6+;
InChIKeyFHNMPCCUMHHXQY-WVLIHFOGSA-N
XLogP0.88
TPSA78.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenylmethanimine;2H-tetrazole?
The IUPAC name of phenylmethanimine;2H-tetrazole (CID 158034084) is phenylmethanimine;2H-tetrazole.
What is the SMILES notation for phenylmethanimine;2H-tetrazole?
The canonical SMILES for phenylmethanimine;2H-tetrazole is [H]/N=C/c1ccccc1.c1nn[nH]n1.
What is the InChIKey of phenylmethanimine;2H-tetrazole?
The InChIKey is FHNMPCCUMHHXQY-WVLIHFOGSA-N. The full InChI is InChI=1S/C7H7N.CH2N4/c8-6-7-4-2-1-3-5-7;1-2-4-5-3-1/h1-6,8H;1H,(H,2,3,4,5)/b8-6+;.
What are the key properties of phenylmethanimine;2H-tetrazole?
phenylmethanimine;2H-tetrazole has a molecular weight of 175.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanimine;2H-tetrazole is sourced from PubChem (CID 158034084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).