4-chloro-1,3,5-triazin-2-amine

C3H3ClN4 — CID 24381

IUPAC4-chloro-1,3,5-triazin-2-amine
SMILESNc1ncnc(Cl)n1
InChIInChI=1S/C3H3ClN4/c4-2-6-1-7-3(5)8-2/h1H,(H2,5,6,7,8)
InChIKeyULVNIJSKNRGBHX-UHFFFAOYSA-N
MW130.54 g/mol
LogP0.11
Rot. Bonds

About 4-chloro-1,3,5-triazin-2-amine

4-chloro-1,3,5-triazin-2-amine (PubChem CID 24381) has the molecular formula C3H3ClN4 and a molecular weight of 130.54 g/mol. Its IUPAC name is 4-chloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-1,3,5-triazin-2-amine
PubChem CID24381
Molecular FormulaC3H3ClN4
Molecular Weight130.54 g/mol
Exact Mass130.00
IUPAC Name4-chloro-1,3,5-triazin-2-amine
SMILESNc1ncnc(Cl)n1
InChIInChI=1S/C3H3ClN4/c4-2-6-1-7-3(5)8-2/h1H,(H2,5,6,7,8)
InChIKeyULVNIJSKNRGBHX-UHFFFAOYSA-N
XLogP0.11
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.54
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-1,3,5-triazin-2-amine (CID 24381) is 4-chloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-1,3,5-triazin-2-amine is Nc1ncnc(Cl)n1.
What is the InChIKey of 4-chloro-1,3,5-triazin-2-amine?
The InChIKey is ULVNIJSKNRGBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN4/c4-2-6-1-7-3(5)8-2/h1H,(H2,5,6,7,8).
What are the key properties of 4-chloro-1,3,5-triazin-2-amine?
4-chloro-1,3,5-triazin-2-amine has a molecular weight of 130.54 g/mol, XLogP of 0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 24381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).