6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine

C4H7ClN4 — CID 162186766

IUPAC6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC1N=C(N)NC(Cl)=N1
InChIInChI=1S/C4H7ClN4/c1-2-7-3(5)9-4(6)8-2/h2H,1H3,(H3,6,7,8,9)
InChIKeyZPTGXEDZKXOQCP-UHFFFAOYSA-N
MW146.58 g/mol
LogP-0.15
Rot. Bonds

About 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine

6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 162186766) has the molecular formula C4H7ClN4 and a molecular weight of 146.58 g/mol. Its IUPAC name is 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID162186766
Molecular FormulaC4H7ClN4
Molecular Weight146.58 g/mol
Exact Mass146.04
IUPAC Name6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCC1N=C(N)NC(Cl)=N1
InChIInChI=1S/C4H7ClN4/c1-2-7-3(5)9-4(6)8-2/h2H,1H3,(H3,6,7,8,9)
InChIKeyZPTGXEDZKXOQCP-UHFFFAOYSA-N
XLogP-0.15
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine (CID 162186766) is 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine is CC1N=C(N)NC(Cl)=N1.
What is the InChIKey of 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is ZPTGXEDZKXOQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClN4/c1-2-7-3(5)9-4(6)8-2/h2H,1H3,(H3,6,7,8,9).
What are the key properties of 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine?
6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 146.58 g/mol, XLogP of -0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 162186766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).