2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine

C14H21N5O2 — CID 20520714

IUPAC2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-4-10-20-13-15-12(16-14(17-13)21-11-5-2)19-8-6-18(3)7-9-19/h4-5H,1-2,6-11H2,3H3
InChIKeyMLMWRHVRVQLIHM-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.75
Rot. Bonds7

About 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine

2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine (PubChem CID 20520714) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
PubChem CID20520714
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine
SMILESC=CCOc1nc(OCC=C)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C14H21N5O2/c1-4-10-20-13-15-12(16-14(17-13)21-11-5-2)19-8-6-18(3)7-9-19/h4-5H,1-2,6-11H2,3H3
InChIKeyMLMWRHVRVQLIHM-UHFFFAOYSA-N
XLogP0.75
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dimorpholin-4-yl-4-prop-2-enyloxy-1,3,5-triazine
CID 2059940
4-(allyloxy)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2187729
2-Allyloxy-4-ethoxy-6-piperidin-1-yl-[1,3,5]triazine
CID 3286572
6-Allyloxy-2-azido-4-(morpholin-4-yl)-1,3,5-triazine
CID 129873021
4-(allyloxy)-N,N-dimethyl-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 3601901
4-Methoxy-6-prop-2-enyloxy-2-pyrrolidinyl-1,3,5-triazine
CID 4020909
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]morpholine
CID 68149051
6-prop-2-enoxy-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303275
N-methyl-4,6-bis(prop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303278
N-methyl-4,6-bis(2-methylprop-2-enoxy)-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 89303283
4-N-methyl-6-prop-2-enoxy-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303286
4-N-methyl-6-(2-methylprop-2-enoxy)-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303296

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine (CID 20520714) is 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine is C=CCOc1nc(OCC=C)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
The InChIKey is MLMWRHVRVQLIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-10-20-13-15-12(16-14(17-13)21-11-5-2)19-8-6-18(3)7-9-19/h4-5H,1-2,6-11H2,3H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine?
2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine has a molecular weight of 291.36 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4,6-bis(prop-2-enoxy)-1,3,5-triazine is sourced from PubChem (CID 20520714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).