CID 91157005

C7H7N2- — CID 91157005

IUPAC—
SMILESCC=C1[CH-]C=C=NC=N1
InChIInChI=1S/C7H7N2/c1-2-7-4-3-5-8-6-9-7/h2-4,6H,1H3/q-1
InChIKeyPSSIOTFZRQJCQD-UHFFFAOYSA-N
MW119.15 g/mol
LogP1.36
Rot. Bonds

About CID 91157005

CID 91157005 (PubChem CID 91157005) has the molecular formula C7H7N2- and a molecular weight of 119.15 g/mol.

Molecular Properties

Compound NameCID 91157005
PubChem CID91157005
Molecular FormulaC7H7N2-
Molecular Weight119.15 g/mol
Exact Mass119.06
IUPAC Name—
SMILESCC=C1[CH-]C=C=NC=N1
InChIInChI=1S/C7H7N2/c1-2-7-4-3-5-8-6-9-7/h2-4,6H,1H3/q-1
InChIKeyPSSIOTFZRQJCQD-UHFFFAOYSA-N
XLogP1.36
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.15
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 91157005?
The IUPAC name of CID 91157005 (CID 91157005) is not available.
What is the SMILES notation for CID 91157005?
The canonical SMILES for CID 91157005 is CC=C1[CH-]C=C=NC=N1.
What is the InChIKey of CID 91157005?
The InChIKey is PSSIOTFZRQJCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2/c1-2-7-4-3-5-8-6-9-7/h2-4,6H,1H3/q-1.
What are the key properties of CID 91157005?
CID 91157005 has a molecular weight of 119.15 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91157005 is sourced from PubChem (CID 91157005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).