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

C8H19N5 — CID 143716034

IUPACethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
SMILESC=C1NC(N)N=C(N)N1CC.CC
InChIInChI=1S/C6H13N5.C2H6/c1-3-11-4(2)9-5(7)10-6(11)8;1-2/h5,9H,2-3,7H2,1H3,(H2,8,10);1-2H3
InChIKeyTZIDJLWNBPSNAX-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.03
Rot. Bonds1

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

ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine (PubChem CID 143716034) has the molecular formula C8H19N5 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
PubChem CID143716034
Molecular FormulaC8H19N5
Molecular Weight185.27 g/mol
Exact Mass185.16
IUPAC Nameethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine
SMILESC=C1NC(N)N=C(N)N1CC.CC
InChIInChI=1S/C6H13N5.C2H6/c1-3-11-4(2)9-5(7)10-6(11)8;1-2/h5,9H,2-3,7H2,1H3,(H2,8,10);1-2H3
InChIKeyTZIDJLWNBPSNAX-UHFFFAOYSA-N
XLogP-0.03
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
The IUPAC name of ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine (CID 143716034) is ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine is C=C1NC(N)N=C(N)N1CC.CC.
What is the InChIKey of ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
The InChIKey is TZIDJLWNBPSNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5.C2H6/c1-3-11-4(2)9-5(7)10-6(11)8;1-2/h5,9H,2-3,7H2,1H3,(H2,8,10);1-2H3.
What are the key properties of ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine?
ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine has a molecular weight of 185.27 g/mol, XLogP of -0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-6-methylidene-1,2-dihydro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 143716034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).