(4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate

C5H6ClN11O2 — CID 174820129

IUPAC(4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate
SMILES[H]/N=N/C(=NN)Oc1nc(Cl)nc(OC(=NN)/N=N/[H])n1
InChIInChI=1S/C5H6ClN11O2/c6-1-11-2(18-4(14-7)15-8)13-3(12-1)19-5(16-9)17-10/h7,9H,8,10H2/b14-7+,15-4?,16-9+,17-5?
InChIKeyGJJHFBGYXLEFKJ-WGJAZLEUSA-N
MW287.63 g/mol
LogP-0.20
Rot. Bonds2

About (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate

(4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate (PubChem CID 174820129) has the molecular formula C5H6ClN11O2 and a molecular weight of 287.63 g/mol. Its IUPAC name is (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate.

Molecular Properties

Compound Name(4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate
PubChem CID174820129
Molecular FormulaC5H6ClN11O2
Molecular Weight287.63 g/mol
Exact Mass287.04
IUPAC Name(4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate
SMILES[H]/N=N/C(=NN)Oc1nc(Cl)nc(OC(=NN)/N=N/[H])n1
InChIInChI=1S/C5H6ClN11O2/c6-1-11-2(18-4(14-7)15-8)13-3(12-1)19-5(16-9)17-10/h7,9H,8,10H2/b14-7+,15-4?,16-9+,17-5?
InChIKeyGJJHFBGYXLEFKJ-WGJAZLEUSA-N
XLogP-0.20
TPSA206.31 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.63
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate?
The IUPAC name of (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate (CID 174820129) is (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate.
What is the SMILES notation for (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate?
The canonical SMILES for (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate is [H]/N=N/C(=NN)Oc1nc(Cl)nc(OC(=NN)/N=N/[H])n1.
What is the InChIKey of (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate?
The InChIKey is GJJHFBGYXLEFKJ-WGJAZLEUSA-N. The full InChI is InChI=1S/C5H6ClN11O2/c6-1-11-2(18-4(14-7)15-8)13-3(12-1)19-5(16-9)17-10/h7,9H,8,10H2/b14-7+,15-4?,16-9+,17-5?.
What are the key properties of (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate?
(4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate has a molecular weight of 287.63 g/mol, XLogP of -0.20, 2 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-6-formazan-3-yloxy-1,3,5-triazin-2-yl) N'-amino-N-iminocarbamimidate is sourced from PubChem (CID 174820129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).