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

C9H12ClN5 — CID 27306

IUPAC6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCC=C)n1
InChIInChI=1S/C9H12ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKeyJVNONOVWALQTEB-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.72
Rot. Bonds6

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

6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 27306) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID27306
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCC=C)n1
InChIInChI=1S/C9H12ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
InChIKeyJVNONOVWALQTEB-UHFFFAOYSA-N
XLogP1.72
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N2,N2-Di-2-propen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 66682
4,6-Dichloro-N,N-di-2-propen-1-yl-1,3,5-triazin-2-amine
CID 97190
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
N-Allyl-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
4,6-Dimethoxy-N-2-propen-1-yl-1,3,5-triazin-2-amine
CID 2056933
Cambridge id 5304492
CID 2056339
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
2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 10986425
2-Allylamino-4-amino-6-methoxy-s-triazine
CID 459154
s-Triazine, 2-chloro-4,6-bis(diallylamino)-
CID 95021

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 27306) is 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(NCC=C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JVNONOVWALQTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 225.68 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 27306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).