N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide

C9H12N8O — CID 114388978

IUPACN-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2nn[nH]n2)nc1CC
InChIInChI=1S/C9H12N8O/c1-3-5-6(4-2)12-15-9(10-5)11-8(18)7-13-16-17-14-7/h3-4H2,1-2H3,(H,10,11,15,18)(H,13,14,16,17)
InChIKeyAWXQUAHBAAAXIK-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.24
Rot. Bonds4

About N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide

N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide (PubChem CID 114388978) has the molecular formula C9H12N8O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
PubChem CID114388978
Molecular FormulaC9H12N8O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2nn[nH]n2)nc1CC
InChIInChI=1S/C9H12N8O/c1-3-5-6(4-2)12-15-9(10-5)11-8(18)7-13-16-17-14-7/h3-4H2,1-2H3,(H,10,11,15,18)(H,13,14,16,17)
InChIKeyAWXQUAHBAAAXIK-UHFFFAOYSA-N
XLogP-0.24
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide 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-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide (CID 114388978) is N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide is CCc1nnc(NC(=O)c2nn[nH]n2)nc1CC.
What is the InChIKey of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide?
The InChIKey is AWXQUAHBAAAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8O/c1-3-5-6(4-2)12-15-9(10-5)11-8(18)7-13-16-17-14-7/h3-4H2,1-2H3,(H,10,11,15,18)(H,13,14,16,17).
What are the key properties of N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide?
N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diethyl-1,2,4-triazin-3-yl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 114388978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).