2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile

C12H17N7 — CID 15279952

IUPAC2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile
SMILESCCNc1nc(NC(C)C)nc(C(C)(C#N)C#N)n1
InChIInChI=1S/C12H17N7/c1-5-15-10-17-9(12(4,6-13)7-14)18-11(19-10)16-8(2)3/h8H,5H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyJMXRJSJBIGBSSH-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.43
Rot. Bonds5

About 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile

2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile (PubChem CID 15279952) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile.

Molecular Properties

Compound Name2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile
PubChem CID15279952
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile
SMILESCCNc1nc(NC(C)C)nc(C(C)(C#N)C#N)n1
InChIInChI=1S/C12H17N7/c1-5-15-10-17-9(12(4,6-13)7-14)18-11(19-10)16-8(2)3/h8H,5H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyJMXRJSJBIGBSSH-UHFFFAOYSA-N
XLogP1.43
TPSA110.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile 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

4,6-Bis-isopropylamino-[1,3,5]triazine-2-carbonitrile
CID 644401
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
1,3,5-Triazin-2-amine, 4-ethyl-6-methoxy-N-(1-methylethyl)-
CID 199904
1,3,5-Triazin-2-amine, 4-chloro-6-ethyl-N-(1-methylethyl)-
CID 3044737
s-Triazine, 2,4-bis(isopropylamino)-6-propyl-
CID 33411
4,6-Bis(ethylamino)-1,3,5-triazine-2-carbonitrile
CID 30245
6-methyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 33379
2-Ethyl-amino-4-isopropylamino-1,3,5-triazine
CID 22027372
4-ethylamino-6-isopropyl amino S-triazine
CID 130532627
1,3,5-Triazine, 2-isopropylamino-4,6-bis(nonafluoro-tert-butyl)-
CID 635970
6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769869
6-(2-fluoropropan-2-yl)-2-N-(2-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 18769876

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile?
The IUPAC name of 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile (CID 15279952) is 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile.
What is the SMILES notation for 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile?
The canonical SMILES for 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile is CCNc1nc(NC(C)C)nc(C(C)(C#N)C#N)n1.
What is the InChIKey of 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile?
The InChIKey is JMXRJSJBIGBSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-5-15-10-17-9(12(4,6-13)7-14)18-11(19-10)16-8(2)3/h8H,5H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile?
2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile has a molecular weight of 259.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-2-methylpropanedinitrile is sourced from PubChem (CID 15279952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).