2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine

C9H13N3O2 — CID 135057009

IUPAC2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine
SMILESC/C=C/Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H13N3O2/c1-4-5-6-7-10-8(13-2)12-9(11-7)14-3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyZQQPRWPAZBAEAR-SNAWJCMRSA-N
MW195.22 g/mol
LogP1.01
Rot. Bonds4

About 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine

2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 135057009) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID135057009
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine
SMILESC/C=C/Cc1nc(OC)nc(OC)n1
InChIInChI=1S/C9H13N3O2/c1-4-5-6-7-10-8(13-2)12-9(11-7)14-3/h4-5H,6H2,1-3H3/b5-4+
InChIKeyZQQPRWPAZBAEAR-SNAWJCMRSA-N
XLogP1.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethoxy-6-prop-2-enyl-1,3,5-triazine
CID 86053137
2,4-Dimethoxy-6-(2-methylprop-2-enyl)-1,3,5-triazine
CID 86053139
2,4-dimethoxy-6-[(E)-oct-1-enyl]-1,3,5-triazine
CID 138967146
2,4-dimethoxy-6-[(E)-prop-1-enyl]-1,3,5-triazine
CID 102586826
2,4-dimethoxy-6-[(Z)-prop-1-enyl]-1,3,5-triazine
CID 102586827
2-[(E)-hex-1-enyl]-4,6-dimethoxy-1,3,5-triazine
CID 102586828
4-Methoxy-6-prop-2-enyl-1,3,5-triazin-2-amine
CID 70465850
2,4-Dimethyl-6-prop-2-enyl-1,3,5-triazine
CID 122595292
2,4-dimethyl-6-[(Z)-2-methylpent-3-en-2-yl]-1,3,5-triazine
CID 137386933
6-But-2-enyl-1,3,5-triazine-2,4-diamine
CID 140055794
6-[(E)-pent-2-enyl]-1,3,5-triazine-2,4-diamine
CID 140132936
6-[(E)-but-2-enyl]-1,3,5-triazine-2,4-diamine
CID 156238293

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine (CID 135057009) is 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine is C/C=C/Cc1nc(OC)nc(OC)n1.
What is the InChIKey of 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is ZQQPRWPAZBAEAR-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-4-5-6-7-10-8(13-2)12-9(11-7)14-3/h4-5H,6H2,1-3H3/b5-4+.
What are the key properties of 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine?
2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 195.22 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enyl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 135057009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).