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6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

C12H19N5 — CID 159034114

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N\CC2=CCC=C2)N1
InChIInChI=1S/C12H19N5/c1-9-14-11(16-12(15-9)17(2)3)13-8-10-6-4-5-7-10/h4,6-7,9H,5,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOPETVEKLXYWQPY-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.69
Rot. Bonds2

About 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine

6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 159034114) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID159034114
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC1N=C(N(C)C)N/C(=N\CC2=CCC=C2)N1
InChIInChI=1S/C12H19N5/c1-9-14-11(16-12(15-9)17(2)3)13-8-10-6-4-5-7-10/h4,6-7,9H,5,8H2,1-3H3,(H2,13,14,15,16)
InChIKeyOPETVEKLXYWQPY-UHFFFAOYSA-N
XLogP0.69
TPSA52.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 159034114) is 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC1N=C(N(C)C)N/C(=N\CC2=CCC=C2)N1.
What is the InChIKey of 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is OPETVEKLXYWQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-9-14-11(16-12(15-9)17(2)3)13-8-10-6-4-5-7-10/h4,6-7,9H,5,8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 233.32 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenta-1,4-dien-1-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 159034114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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