4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine

C8H10Cl2N4 — CID 106195869

IUPAC4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine
SMILESC/C=C/CCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H10Cl2N4/c1-2-3-4-5-11-8-13-6(9)12-7(10)14-8/h2-3H,4-5H2,1H3,(H,11,12,13,14)/b3-2+
InChIKeyRHALLRNBTMLCTA-NSCUHMNNSA-N
MW233.10 g/mol
LogP2.56
Rot. Bonds4

About 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine (PubChem CID 106195869) has the molecular formula C8H10Cl2N4 and a molecular weight of 233.10 g/mol. Its IUPAC name is 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine
PubChem CID106195869
Molecular FormulaC8H10Cl2N4
Molecular Weight233.10 g/mol
Exact Mass232.03
IUPAC Name4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine
SMILESC/C=C/CCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H10Cl2N4/c1-2-3-4-5-11-8-13-6(9)12-7(10)14-8/h2-3H,4-5H2,1H3,(H,11,12,13,14)/b3-2+
InChIKeyRHALLRNBTMLCTA-NSCUHMNNSA-N
XLogP2.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-pent-3-enyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 106195902
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
2-chloro-5-methyl-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195918
4-methyl-N-[(E)-pent-3-enyl]pyrimidin-2-amine
CID 115637231
N-[2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 62870440
S-[2-[[4-(but-2-enylamino)-6-chloro-1,3,5-triazin-2-yl]amino]ethyl] N-methylcarbamothioate
CID 57022519
N-(2-but-3-enoxyethyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 106405801
N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
CID 113410956
N-(4,6-dichloro-1,3,5-triazin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60726247
6-chloro-2-N,4-N-bis(hex-5-enyl)-1,3,5-triazine-2,4-diamine
CID 101229509
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanenitrile
CID 21443697

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine (CID 106195869) is 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine is C/C=C/CCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine?
The InChIKey is RHALLRNBTMLCTA-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10Cl2N4/c1-2-3-4-5-11-8-13-6(9)12-7(10)14-8/h2-3H,4-5H2,1H3,(H,11,12,13,14)/b3-2+.
What are the key properties of 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine has a molecular weight of 233.10 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[(E)-pent-3-enyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 106195869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).