5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine

C8H16ClN5 — CID 135773304

IUPAC5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCCNC1=NCN(Cl)/C(=N\C(C)C)N1
InChIInChI=1S/C8H16ClN5/c1-4-10-7-11-5-14(9)8(13-7)12-6(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyJUDIGXPTIVLDPJ-UHFFFAOYSA-N
MW217.70 g/mol
LogP0.73
Rot. Bonds2

About 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine

5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 135773304) has the molecular formula C8H16ClN5 and a molecular weight of 217.70 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID135773304
Molecular FormulaC8H16ClN5
Molecular Weight217.70 g/mol
Exact Mass217.11
IUPAC Name5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCCNC1=NCN(Cl)/C(=N\C(C)C)N1
InChIInChI=1S/C8H16ClN5/c1-4-10-7-11-5-14(9)8(13-7)12-6(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyJUDIGXPTIVLDPJ-UHFFFAOYSA-N
XLogP0.73
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.73
H-Bond Donors ≤ 52
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-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine (CID 135773304) is 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine is CCNC1=NCN(Cl)/C(=N\C(C)C)N1.
What is the InChIKey of 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is JUDIGXPTIVLDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClN5/c1-4-10-7-11-5-14(9)8(13-7)12-6(2)3/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine?
5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 217.70 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-propan-2-ylimino-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 135773304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).