N-(2H-tetrazol-5-yl)triazin-4-amine

C4H4N8 — CID 133064897

IUPACN-(2H-tetrazol-5-yl)triazin-4-amine
SMILESc1cc(Nc2nn[nH]n2)nnn1
InChIInChI=1S/C4H4N8/c1-2-5-10-7-3(1)6-4-8-11-12-9-4/h1-2H,(H2,5,6,7,8,9,11,12)
InChIKeySHGNABFDHUCSLG-UHFFFAOYSA-N
MW164.13 g/mol
LogP-0.87
Rot. Bonds2

About N-(2H-tetrazol-5-yl)triazin-4-amine

N-(2H-tetrazol-5-yl)triazin-4-amine (PubChem CID 133064897) has the molecular formula C4H4N8 and a molecular weight of 164.13 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)triazin-4-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)triazin-4-amine
PubChem CID133064897
Molecular FormulaC4H4N8
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN-(2H-tetrazol-5-yl)triazin-4-amine
SMILESc1cc(Nc2nn[nH]n2)nnn1
InChIInChI=1S/C4H4N8/c1-2-5-10-7-3(1)6-4-8-11-12-9-4/h1-2H,(H2,5,6,7,8,9,11,12)
InChIKeySHGNABFDHUCSLG-UHFFFAOYSA-N
XLogP-0.87
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2H-tetrazol-5-yl)triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)triazin-4-amine?
The IUPAC name of N-(2H-tetrazol-5-yl)triazin-4-amine (CID 133064897) is N-(2H-tetrazol-5-yl)triazin-4-amine.
What is the SMILES notation for N-(2H-tetrazol-5-yl)triazin-4-amine?
The canonical SMILES for N-(2H-tetrazol-5-yl)triazin-4-amine is c1cc(Nc2nn[nH]n2)nnn1.
What is the InChIKey of N-(2H-tetrazol-5-yl)triazin-4-amine?
The InChIKey is SHGNABFDHUCSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N8/c1-2-5-10-7-3(1)6-4-8-11-12-9-4/h1-2H,(H2,5,6,7,8,9,11,12).
What are the key properties of N-(2H-tetrazol-5-yl)triazin-4-amine?
N-(2H-tetrazol-5-yl)triazin-4-amine has a molecular weight of 164.13 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)triazin-4-amine is sourced from PubChem (CID 133064897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).