6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine

C17H15N7 — CID 66809866

IUPAC6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine
SMILESC=CCc1cnc(-c2cccc(-c3ncc(CC=C)nn3)n2)nn1
InChIInChI=1S/C17H15N7/c1-3-6-12-10-18-16(23-21-12)14-8-5-9-15(20-14)17-19-11-13(7-4-2)22-24-17/h3-5,8-11H,1-2,6-7H2
InChIKeyVFDLSOOPOHMEKN-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.24
Rot. Bonds6

About 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine

6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine (PubChem CID 66809866) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine.

Molecular Properties

Compound Name6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine
PubChem CID66809866
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine
SMILESC=CCc1cnc(-c2cccc(-c3ncc(CC=C)nn3)n2)nn1
InChIInChI=1S/C17H15N7/c1-3-6-12-10-18-16(23-21-12)14-8-5-9-15(20-14)17-19-11-13(7-4-2)22-24-17/h3-5,8-11H,1-2,6-7H2
InChIKeyVFDLSOOPOHMEKN-UHFFFAOYSA-N
XLogP2.24
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine?
The IUPAC name of 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine (CID 66809866) is 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine.
What is the SMILES notation for 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine?
The canonical SMILES for 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine is C=CCc1cnc(-c2cccc(-c3ncc(CC=C)nn3)n2)nn1.
What is the InChIKey of 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine?
The InChIKey is VFDLSOOPOHMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-3-6-12-10-18-16(23-21-12)14-8-5-9-15(20-14)17-19-11-13(7-4-2)22-24-17/h3-5,8-11H,1-2,6-7H2.
What are the key properties of 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine?
6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine has a molecular weight of 317.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-3-[6-(6-prop-2-enyl-1,2,4-triazin-3-yl)-2-pyridinyl]-1,2,4-triazine is sourced from PubChem (CID 66809866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).