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

C6H5N7 — CID 11480753

IUPACN-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine
SMILESc1cnc(Nc2nccnn2)nn1
InChIInChI=1S/C6H5N7/c1-3-9-12-5(7-1)11-6-8-2-4-10-13-6/h1-4H,(H,7,8,11,12,13)
InChIKeyHSNZQYSMBOGKNA-UHFFFAOYSA-N
MW175.16 g/mol
LogP-0.20
Rot. Bonds2

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

N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine (PubChem CID 11480753) has the molecular formula C6H5N7 and a molecular weight of 175.16 g/mol. Its IUPAC name is N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine
PubChem CID11480753
Molecular FormulaC6H5N7
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC NameN-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine
SMILESc1cnc(Nc2nccnn2)nn1
InChIInChI=1S/C6H5N7/c1-3-9-12-5(7-1)11-6-8-2-4-10-13-6/h1-4H,(H,7,8,11,12,13)
InChIKeyHSNZQYSMBOGKNA-UHFFFAOYSA-N
XLogP-0.20
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine?
The IUPAC name of N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine (CID 11480753) is N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine is c1cnc(Nc2nccnn2)nn1.
What is the InChIKey of N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine?
The InChIKey is HSNZQYSMBOGKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N7/c1-3-9-12-5(7-1)11-6-8-2-4-10-13-6/h1-4H,(H,7,8,11,12,13).
What are the key properties of N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine?
N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine has a molecular weight of 175.16 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazin-3-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 11480753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).