6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine

C10H13N3 — CID 142166051

IUPAC6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine
SMILESC=Cc1nc(C)nnc1/C=C\CC
InChIInChI=1S/C10H13N3/c1-4-6-7-10-9(5-2)11-8(3)12-13-10/h5-7H,2,4H2,1,3H3/b7-6-
InChIKeyOREYJCJGUWWNJL-SREVYHEPSA-N
MW175.23 g/mol
LogP2.25
Rot. Bonds3

About 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine

6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine (PubChem CID 142166051) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine.

Molecular Properties

Compound Name6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine
PubChem CID142166051
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine
SMILESC=Cc1nc(C)nnc1/C=C\CC
InChIInChI=1S/C10H13N3/c1-4-6-7-10-9(5-2)11-8(3)12-13-10/h5-7H,2,4H2,1,3H3/b7-6-
InChIKeyOREYJCJGUWWNJL-SREVYHEPSA-N
XLogP2.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine?
The IUPAC name of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine (CID 142166051) is 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine.
What is the SMILES notation for 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine?
The canonical SMILES for 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine is C=Cc1nc(C)nnc1/C=C\CC.
What is the InChIKey of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine?
The InChIKey is OREYJCJGUWWNJL-SREVYHEPSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-6-7-10-9(5-2)11-8(3)12-13-10/h5-7H,2,4H2,1,3H3/b7-6-.
What are the key properties of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine?
6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine has a molecular weight of 175.23 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1,2,4-triazine is sourced from PubChem (CID 142166051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).