ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine

C9H18N4 — CID 143715882

IUPACethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine
SMILESC=C1N=C(N)N(CC)C(=C)N1.CC
InChIInChI=1S/C7H12N4.C2H6/c1-4-11-6(3)9-5(2)10-7(11)8;1-2/h9H,2-4H2,1H3,(H2,8,10);1-2H3
InChIKeyWDJVSFAZXWGCIU-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.19
Rot. Bonds1

About ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine

ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine (PubChem CID 143715882) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine.

Molecular Properties

Compound Nameethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine
PubChem CID143715882
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Nameethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine
SMILESC=C1N=C(N)N(CC)C(=C)N1.CC
InChIInChI=1S/C7H12N4.C2H6/c1-4-11-6(3)9-5(2)10-7(11)8;1-2/h9H,2-4H2,1H3,(H2,8,10);1-2H3
InChIKeyWDJVSFAZXWGCIU-UHFFFAOYSA-N
XLogP1.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine?
The IUPAC name of ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine (CID 143715882) is ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine.
What is the SMILES notation for ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine?
The canonical SMILES for ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine is C=C1N=C(N)N(CC)C(=C)N1.CC.
What is the InChIKey of ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine?
The InChIKey is WDJVSFAZXWGCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.C2H6/c1-4-11-6(3)9-5(2)10-7(11)8;1-2/h9H,2-4H2,1H3,(H2,8,10);1-2H3.
What are the key properties of ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine?
ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine has a molecular weight of 182.27 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4,6-dimethylidene-1,3,5-triazin-2-amine is sourced from PubChem (CID 143715882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).