benzene;triazine-4,5-diamine

C9H11N5 — CID 174638520

IUPACbenzene;triazine-4,5-diamine
SMILESNc1cnnnc1N.c1ccccc1
InChIInChI=1S/C6H6.C3H5N5/c1-2-4-6-5-3-1;4-2-1-6-8-7-3(2)5/h1-6H;1H,(H2,4,8)(H2,5,6,7)
InChIKeyXWXGKLHNUVNGSH-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.72
Rot. Bonds

About benzene;triazine-4,5-diamine

benzene;triazine-4,5-diamine (PubChem CID 174638520) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is benzene;triazine-4,5-diamine.

Molecular Properties

Compound Namebenzene;triazine-4,5-diamine
PubChem CID174638520
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Namebenzene;triazine-4,5-diamine
SMILESNc1cnnnc1N.c1ccccc1
InChIInChI=1S/C6H6.C3H5N5/c1-2-4-6-5-3-1;4-2-1-6-8-7-3(2)5/h1-6H;1H,(H2,4,8)(H2,5,6,7)
InChIKeyXWXGKLHNUVNGSH-UHFFFAOYSA-N
XLogP0.72
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzene;triazine-4,5-diamine?
The IUPAC name of benzene;triazine-4,5-diamine (CID 174638520) is benzene;triazine-4,5-diamine.
What is the SMILES notation for benzene;triazine-4,5-diamine?
The canonical SMILES for benzene;triazine-4,5-diamine is Nc1cnnnc1N.c1ccccc1.
What is the InChIKey of benzene;triazine-4,5-diamine?
The InChIKey is XWXGKLHNUVNGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H5N5/c1-2-4-6-5-3-1;4-2-1-6-8-7-3(2)5/h1-6H;1H,(H2,4,8)(H2,5,6,7).
What are the key properties of benzene;triazine-4,5-diamine?
benzene;triazine-4,5-diamine has a molecular weight of 189.22 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;triazine-4,5-diamine is sourced from PubChem (CID 174638520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).