(NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine

C9H8N4O — CID 137226480

IUPAC(NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine
SMILESCc1nnc2cc/c(=N/O)ccc2n1
InChIInChI=1S/C9H8N4O/c1-6-10-8-4-2-7(13-14)3-5-9(8)12-11-6/h2-5,14H,1H3/b13-7+
InChIKeyTUQKPPFDXPDSGV-NTUHNPAUSA-N
MW188.19 g/mol
LogP0.62
Rot. Bonds

About (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine

(NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine (PubChem CID 137226480) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine
PubChem CID137226480
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name(NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine
SMILESCc1nnc2cc/c(=N/O)ccc2n1
InChIInChI=1S/C9H8N4O/c1-6-10-8-4-2-7(13-14)3-5-9(8)12-11-6/h2-5,14H,1H3/b13-7+
InChIKeyTUQKPPFDXPDSGV-NTUHNPAUSA-N
XLogP0.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine (CID 137226480) is (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine is Cc1nnc2cc/c(=N/O)ccc2n1.
What is the InChIKey of (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine?
The InChIKey is TUQKPPFDXPDSGV-NTUHNPAUSA-N. The full InChI is InChI=1S/C9H8N4O/c1-6-10-8-4-2-7(13-14)3-5-9(8)12-11-6/h2-5,14H,1H3/b13-7+.
What are the key properties of (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine?
(NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine has a molecular weight of 188.19 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-methylcyclohepta[e][1,2,4]triazin-7-ylidene)hydroxylamine is sourced from PubChem (CID 137226480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).