N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine

C4H4N8 — CID 11159501

IUPACN-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine
SMILESc1cnc(Nc2nn[nH]n2)nn1
InChIInChI=1S/C4H4N8/c1-2-6-8-3(5-1)7-4-9-11-12-10-4/h1-2H,(H2,5,7,8,9,10,11,12)
InChIKeyDTPWKOSSYKBTPO-UHFFFAOYSA-N
MW164.13 g/mol
LogP-0.87
Rot. Bonds2

About N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine

N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine (PubChem CID 11159501) has the molecular formula C4H4N8 and a molecular weight of 164.13 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine
PubChem CID11159501
Molecular FormulaC4H4N8
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine
SMILESc1cnc(Nc2nn[nH]n2)nn1
InChIInChI=1S/C4H4N8/c1-2-6-8-3(5-1)7-4-9-11-12-10-4/h1-2H,(H2,5,7,8,9,10,11,12)
InChIKeyDTPWKOSSYKBTPO-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

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Related Compounds

3-Amino-1,2,4-triazine
CID 70715
Tetrazolo[1,5-b][1,2,4]triazine
CID 1547801
N-Methyl-1,2,4-triazin-3-amine
CID 12434680
3-Guanidinoimidazo[1,2-b][1,2,4,5]tetrazine
CID 135398161
(1,2,4)Triazolo(1,5-a)pyrazin-2-amine
CID 13033266
Imidazo[1,2-b][1,2,4]triazine
CID 12262392
[1,2,4]Triazolo[4,3-b][1,2,4]triazine
CID 12335165
N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine
CID 11480753
N-(5-nitro-1H-1,2,4-triazol-3-yl)-1,2,4-triazin-3-amine
CID 135448368
N-pyrazin-2-yl-1,2,4-triazin-3-amine
CID 11298241
1,2,4-Triazolo[5,1-c][1,2,4]triazine
CID 12335178
[1,2,4]Triazolo[1,5-b][1,2,4]triazine
CID 13163406

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine (CID 11159501) is N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine is c1cnc(Nc2nn[nH]n2)nn1.
What is the InChIKey of N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine?
The InChIKey is DTPWKOSSYKBTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N8/c1-2-6-8-3(5-1)7-4-9-11-12-10-4/h1-2H,(H2,5,7,8,9,10,11,12).
What are the key properties of N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-amine?
N-(2H-tetrazol-5-yl)-1,2,4-triazin-3-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)-1,2,4-triazin-3-amine is sourced from PubChem (CID 11159501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).