ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine

C9H21N5 — CID 143715487

IUPACethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
SMILESC=C1NC(NC)N=C(N)N1CC.CC
InChIInChI=1S/C7H15N5.C2H6/c1-4-12-5(2)10-7(9-3)11-6(12)8;1-2/h7,9-10H,2,4H2,1,3H3,(H2,8,11);1-2H3
InChIKeyGZQHNRPFWUCVFN-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.23
Rot. Bonds2

About ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine

ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine (PubChem CID 143715487) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
PubChem CID143715487
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Nameethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
SMILESC=C1NC(NC)N=C(N)N1CC.CC
InChIInChI=1S/C7H15N5.C2H6/c1-4-12-5(2)10-7(9-3)11-6(12)8;1-2/h7,9-10H,2,4H2,1,3H3,(H2,8,11);1-2H3
InChIKeyGZQHNRPFWUCVFN-UHFFFAOYSA-N
XLogP0.23
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
The IUPAC name of ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine (CID 143715487) is ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine is C=C1NC(NC)N=C(N)N1CC.CC.
What is the InChIKey of ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
The InChIKey is GZQHNRPFWUCVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5.C2H6/c1-4-12-5(2)10-7(9-3)11-6(12)8;1-2/h7,9-10H,2,4H2,1,3H3,(H2,8,11);1-2H3.
What are the key properties of ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine has a molecular weight of 199.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-2-N-methyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 143715487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).