6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C13H21N7 — CID 13251299

IUPAC6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCNCC2)n1
InChIInChI=1S/C13H21N7/c1-3-5-15-11-17-12(16-6-4-2)19-13(18-11)20-9-7-14-8-10-20/h3-4,14H,1-2,5-10H2,(H2,15,16,17,18,19)
InChIKeyFNVNGOUAGLMNNB-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.48
Rot. Bonds7

About 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 13251299) has the molecular formula C13H21N7 and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID13251299
Molecular FormulaC13H21N7
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC Name6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCNCC2)n1
InChIInChI=1S/C13H21N7/c1-3-5-15-11-17-12(16-6-4-2)19-13(18-11)20-9-7-14-8-10-20/h3-4,14H,1-2,5-10H2,(H2,15,16,17,18,19)
InChIKeyFNVNGOUAGLMNNB-UHFFFAOYSA-N
XLogP0.48
TPSA78.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
Allyl-(4,6-di-piperidin-1-yl-[1,3,5]triazin-2-yl)-amine
CID 3107860
1,3,5-Triazine-2,4,6-triamine, N,N'-di-2-propenyl-
CID 35075
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 44725283
2,4,6-Triallylamino-sym-triazine
CID 35080
N,N,N',N'-tetramethyl-6-(1-piperazinyl)-1,3,5-triazine-2,4-diamine
CID 33741884
6-Chloro-4-N-ethyl-2-N,2-N-di(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 183260
[4,6-Bis(ethylamino)-1,3,5-triazin-2-yl]prop-2-en-1-ylcyanamide
CID 778504
N-Allyl-4-chloro-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 2837384
N'-allyl-6-chloro-N,N-diethyl-1,3,5-triazine-2,4-diamine
CID 3817889
Diallyl-(4-chloro-6-propylamino-s-triazin-2-yl)amine
CID 14317544
2-N-ethyl-2-N-[2-(ethylamino)ethyl]-4-N,6-N-bis(prop-2-enyl)-1,3,5-triazine-2,4,6-triamine
CID 13258816

Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 13251299) is 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCNCC2)n1.
What is the InChIKey of 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FNVNGOUAGLMNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7/c1-3-5-15-11-17-12(16-6-4-2)19-13(18-11)20-9-7-14-8-10-20/h3-4,14H,1-2,5-10H2,(H2,15,16,17,18,19).
What are the key properties of 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 275.36 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 13251299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).