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

C9H12ClN5 — CID 56831789

IUPAC6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C9H12ClN5/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2,(H2,11,12,13,14)
InChIKeyOFPSEAJOTDSAMK-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.29
Rot. Bonds5

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

6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56831789) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID56831789
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(N)nc(Cl)n1
InChIInChI=1S/C9H12ClN5/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2,(H2,11,12,13,14)
InChIKeyOFPSEAJOTDSAMK-UHFFFAOYSA-N
XLogP1.29
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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,N'-Diallyl-6-chloro-1,3,5-triazine-2,4-diamine
CID 27306
Oxonazine
CID 168891
N-Allyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 35294
s-Triazine, 4-amino-2-diallylamino-6-(N,N-dimethylformamidino)-
CID 9578379
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
CID 750966
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,4-N,4-N,6-N,6-N-pentamethyl-2-N-[[methyl(prop-2-enyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine
CID 375169
N,N,N',N',N'',N''-Hexaallyl-1,3,5-triazine-2,4,6-triamine
CID 76069

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 56831789) is 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCN(CC=C)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is OFPSEAJOTDSAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c1-3-5-15(6-4-2)9-13-7(10)12-8(11)14-9/h3-4H,1-2,5-6H2,(H2,11,12,13,14).
What are the key properties of 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 225.68 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56831789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).