triazin-4-amine

C3H4N4 — CID 18544386

IUPACtriazin-4-amine
SMILESNc1ccnnn1
InChIInChI=1S/C3H4N4/c4-3-1-2-5-7-6-3/h1-2H,(H2,4,5,6)
InChIKeyQQOWHRYOXYEMTL-UHFFFAOYSA-N
MW96.09 g/mol
LogP-0.55
Rot. Bonds

About triazin-4-amine

triazin-4-amine (PubChem CID 18544386) has the molecular formula C3H4N4 and a molecular weight of 96.09 g/mol. Its IUPAC name is triazin-4-amine.

Molecular Properties

Compound Nametriazin-4-amine
PubChem CID18544386
Molecular FormulaC3H4N4
Molecular Weight96.09 g/mol
Exact Mass96.04
IUPAC Nametriazin-4-amine
SMILESNc1ccnnn1
InChIInChI=1S/C3H4N4/c4-3-1-2-5-7-6-3/h1-2H,(H2,4,5,6)
InChIKeyQQOWHRYOXYEMTL-UHFFFAOYSA-N
XLogP-0.55
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of triazin-4-amine?
The IUPAC name of triazin-4-amine (CID 18544386) is triazin-4-amine.
What is the SMILES notation for triazin-4-amine?
The canonical SMILES for triazin-4-amine is Nc1ccnnn1.
What is the InChIKey of triazin-4-amine?
The InChIKey is QQOWHRYOXYEMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4/c4-3-1-2-5-7-6-3/h1-2H,(H2,4,5,6).
What are the key properties of triazin-4-amine?
triazin-4-amine has a molecular weight of 96.09 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triazin-4-amine is sourced from PubChem (CID 18544386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).