5-N-phenyltetrazole-1,5-diamine

C7H8N6 — CID 785709

IUPAC5-N-phenyltetrazole-1,5-diamine
SMILESNn1nnnc1Nc1ccccc1
InChIInChI=1S/C7H8N6/c8-13-7(10-11-12-13)9-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10,12)
InChIKeySFOKIBXOKFIPKT-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.13
Rot. Bonds2

About 5-N-phenyltetrazole-1,5-diamine

5-N-phenyltetrazole-1,5-diamine (PubChem CID 785709) has the molecular formula C7H8N6 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-N-phenyltetrazole-1,5-diamine.

Molecular Properties

Compound Name5-N-phenyltetrazole-1,5-diamine
PubChem CID785709
Molecular FormulaC7H8N6
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name5-N-phenyltetrazole-1,5-diamine
SMILESNn1nnnc1Nc1ccccc1
InChIInChI=1S/C7H8N6/c8-13-7(10-11-12-13)9-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10,12)
InChIKeySFOKIBXOKFIPKT-UHFFFAOYSA-N
XLogP0.13
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-phenyltetrazole-1,5-diamine?
The IUPAC name of 5-N-phenyltetrazole-1,5-diamine (CID 785709) is 5-N-phenyltetrazole-1,5-diamine.
What is the SMILES notation for 5-N-phenyltetrazole-1,5-diamine?
The canonical SMILES for 5-N-phenyltetrazole-1,5-diamine is Nn1nnnc1Nc1ccccc1.
What is the InChIKey of 5-N-phenyltetrazole-1,5-diamine?
The InChIKey is SFOKIBXOKFIPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6/c8-13-7(10-11-12-13)9-6-4-2-1-3-5-6/h1-5H,8H2,(H,9,10,12).
What are the key properties of 5-N-phenyltetrazole-1,5-diamine?
5-N-phenyltetrazole-1,5-diamine has a molecular weight of 176.18 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-phenyltetrazole-1,5-diamine is sourced from PubChem (CID 785709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).