4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile

C8H12N6 — CID 30245

IUPAC4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile
SMILESCCNc1nc(C#N)nc(NCC)n1
InChIInChI=1S/C8H12N6/c1-3-10-7-12-6(5-9)13-8(14-7)11-4-2/h3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyIABHWYRRXGOAKL-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.61
Rot. Bonds4

About 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile

4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile (PubChem CID 30245) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile
PubChem CID30245
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile
SMILESCCNc1nc(C#N)nc(NCC)n1
InChIInChI=1S/C8H12N6/c1-3-10-7-12-6(5-9)13-8(14-7)11-4-2/h3-4H2,1-2H3,(H2,10,11,12,13,14)
InChIKeyIABHWYRRXGOAKL-UHFFFAOYSA-N
XLogP0.61
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, N,N'-diethyl-6-(trifluoromethyl)-
CID 12871
N~2~,N~4~-Diethyl-6-methyl-1,3,5-triazine-2,4-diamine
CID 16086
4,6-Bis-isopropylamino-[1,3,5]triazine-2-carbonitrile
CID 644401
4,6-Bis(diethylamino)-1,3,5-triazine-2-carbonitrile
CID 687903
4,6-Bis(dimethylamino)-1,3,5-triazine-2-carbonitrile
CID 1502246
2-N,4-N-diethyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
CID 33390
s-Triazine, 4,6-bis(isopropylamino)-2-ethyl-
CID 33405
1,3,5-Triazin-2-amine, 4-chloro-N-ethyl-6-propyl-
CID 3044738
s-Triazine, 2-isopropylamino-4-methylamino-6-trifluoromethyl-
CID 3041963
4-Amino-6-(dipropylamino)-1,3,5-triazine-2-carbonitrile
CID 5299858
N~2~,N~4~,6-Trimethyl-1,3,5-triazine-2,4-diamine
CID 16085
N,4,6-Trimethyl-1,3,5-triazin-2-amine
CID 20658992

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile (CID 30245) is 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile is CCNc1nc(C#N)nc(NCC)n1.
What is the InChIKey of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile?
The InChIKey is IABHWYRRXGOAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-3-10-7-12-6(5-9)13-8(14-7)11-4-2/h3-4H2,1-2H3,(H2,10,11,12,13,14).
What are the key properties of 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile?
4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile has a molecular weight of 192.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(ethylamino)-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 30245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).