[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide

C11H17N7 — CID 750966

IUPAC[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
SMILESC=CCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H17N7/c1-6-7-18(8-12)11-14-9(16(2)3)13-10(15-11)17(4)5/h6H,1,7H2,2-5H3
InChIKeyKTLOLZKIYLNVLF-UHFFFAOYSA-N
MW247.31 g/mol
LogP0.48
Rot. Bonds5

About [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide

[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide (PubChem CID 750966) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide.

Molecular Properties

Compound Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
PubChem CID750966
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide
SMILESC=CCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C11H17N7/c1-6-7-18(8-12)11-14-9(16(2)3)13-10(15-11)17(4)5/h6H,1,7H2,2-5H3
InChIKeyKTLOLZKIYLNVLF-UHFFFAOYSA-N
XLogP0.48
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide 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-N-cyano-N',N''-bis(isopropyl)-1,3,5-triazine-2,4,6-triamine
CID 621427
s-Triazine, 4-amino-2-diallylamino-6-(N,N-dimethylformamidino)-
CID 9578379
2,4,6-Triallylamino-sym-triazine
CID 35080
Allyl(1,3,5-triazin-2-yl)cyanamide
CID 88848466
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
s-Triazine, 2-chloro-4,6-bis(diallylamino)-
CID 95021
4,6-difluoro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 70579900
6-fluoro-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89978266
4-chloro-6-fluoro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
CID 141655645

Frequently Asked Questions

What is the IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
The IUPAC name of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide (CID 750966) is [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide.
What is the SMILES notation for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
The canonical SMILES for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide is C=CCN(C#N)c1nc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
The InChIKey is KTLOLZKIYLNVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-6-7-18(8-12)11-14-9(16(2)3)13-10(15-11)17(4)5/h6H,1,7H2,2-5H3.
What are the key properties of [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide?
[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide has a molecular weight of 247.31 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-prop-2-enylcyanamide is sourced from PubChem (CID 750966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).