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

C3H6ClN5 — CID 176520985

IUPAC5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine
SMILES[H]/N=C1/NC(N)=NCN1Cl
InChIInChI=1S/C3H6ClN5/c4-9-1-7-2(5)8-3(9)6/h1H2,(H4,5,6,7,8)
InChIKeyVJSORNYWLPITHS-UHFFFAOYSA-N
MW147.57 g/mol
LogP-0.75
Rot. Bonds

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

5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 176520985) has the molecular formula C3H6ClN5 and a molecular weight of 147.57 g/mol. Its IUPAC name is 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID176520985
Molecular FormulaC3H6ClN5
Molecular Weight147.57 g/mol
Exact Mass147.03
IUPAC Name5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine
SMILES[H]/N=C1/NC(N)=NCN1Cl
InChIInChI=1S/C3H6ClN5/c4-9-1-7-2(5)8-3(9)6/h1H2,(H4,5,6,7,8)
InChIKeyVJSORNYWLPITHS-UHFFFAOYSA-N
XLogP-0.75
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.57
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine (CID 176520985) is 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine is [H]/N=C1/NC(N)=NCN1Cl.
What is the InChIKey of 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is VJSORNYWLPITHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6ClN5/c4-9-1-7-2(5)8-3(9)6/h1H2,(H4,5,6,7,8).
What are the key properties of 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine?
5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 147.57 g/mol, XLogP of -0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-imino-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 176520985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).