4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine

C10H13N3 — CID 174365277

IUPAC4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESC[C@@H]1CC=CC=C1C1N=CNC=N1
InChIInChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)10-12-6-11-7-13-10/h2-3,5-8,10H,4H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKeyXFNYNOWDONIONT-MRVPVSSYSA-N
MW175.24 g/mol
LogP1.49
Rot. Bonds1

About 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine

4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 174365277) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID174365277
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESC[C@@H]1CC=CC=C1C1N=CNC=N1
InChIInChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)10-12-6-11-7-13-10/h2-3,5-8,10H,4H2,1H3,(H,11,12,13)/t8-/m1/s1
InChIKeyXFNYNOWDONIONT-MRVPVSSYSA-N
XLogP1.49
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine (CID 174365277) is 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine is C[C@@H]1CC=CC=C1C1N=CNC=N1.
What is the InChIKey of 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is XFNYNOWDONIONT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)10-12-6-11-7-13-10/h2-3,5-8,10H,4H2,1H3,(H,11,12,13)/t8-/m1/s1.
What are the key properties of 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine?
4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 175.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-6-methylcyclohexa-1,3-dien-1-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 174365277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).