4-nitrosotriazine

C3H2N4O — CID 87261520

IUPAC4-nitrosotriazine
SMILESO=Nc1ccnnn1
InChIInChI=1S/C3H2N4O/c8-6-3-1-2-4-7-5-3/h1-2H
InChIKeyJWMUHHKJRONNQW-UHFFFAOYSA-N
MW110.08 g/mol
LogP0.27
Rot. Bonds1

About 4-nitrosotriazine

4-nitrosotriazine (PubChem CID 87261520) has the molecular formula C3H2N4O and a molecular weight of 110.08 g/mol. Its IUPAC name is 4-nitrosotriazine.

Molecular Properties

Compound Name4-nitrosotriazine
PubChem CID87261520
Molecular FormulaC3H2N4O
Molecular Weight110.08 g/mol
Exact Mass110.02
IUPAC Name4-nitrosotriazine
SMILESO=Nc1ccnnn1
InChIInChI=1S/C3H2N4O/c8-6-3-1-2-4-7-5-3/h1-2H
InChIKeyJWMUHHKJRONNQW-UHFFFAOYSA-N
XLogP0.27
TPSA68.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Nitrotriazine
CID 15152501
Aminotriazine
CID 18544386
Azidotriazine
CID 22560135
Triazinyl isocyanate
CID 22918792
N,N-difluorotriazin-4-amine
CID 22411868
Azoxytriazine
CID 129793176
N,N-dichlorotriazin-4-amine
CID 22023293
N'-amino-N-(triazin-4-ylimino)methanimidamide
CID 67809533
Triazin-4-amine;hydrate
CID 69877845
Azane;triazin-4-amine
CID 89736136
Hydroxylaminotriazine
CID 137242491
Chloro(triazin-4-yl)diazene
CID 140360717

Frequently Asked Questions

What is the IUPAC name of 4-nitrosotriazine?
The IUPAC name of 4-nitrosotriazine (CID 87261520) is 4-nitrosotriazine.
What is the SMILES notation for 4-nitrosotriazine?
The canonical SMILES for 4-nitrosotriazine is O=Nc1ccnnn1.
What is the InChIKey of 4-nitrosotriazine?
The InChIKey is JWMUHHKJRONNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N4O/c8-6-3-1-2-4-7-5-3/h1-2H.
What are the key properties of 4-nitrosotriazine?
4-nitrosotriazine has a molecular weight of 110.08 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrosotriazine is sourced from PubChem (CID 87261520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).