(3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate

C8H4ClF2N5O2 — CID 175284187

IUPAC(3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate
SMILESNC(=O)Oc1c(F)c(Cl)c(F)c2nc(N)nnc12
InChIInChI=1S/C8H4ClF2N5O2/c9-1-2(10)4-5(15-16-7(12)14-4)6(3(1)11)18-8(13)17/h(H2,13,17)(H2,12,14,16)
InChIKeyDWVARVHYLVWLLA-UHFFFAOYSA-N
MW275.60 g/mol
LogP1.00
Rot. Bonds1

About (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate

(3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate (PubChem CID 175284187) has the molecular formula C8H4ClF2N5O2 and a molecular weight of 275.60 g/mol. Its IUPAC name is (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate.

Molecular Properties

Compound Name(3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate
PubChem CID175284187
Molecular FormulaC8H4ClF2N5O2
Molecular Weight275.60 g/mol
Exact Mass275.00
IUPAC Name(3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate
SMILESNC(=O)Oc1c(F)c(Cl)c(F)c2nc(N)nnc12
InChIInChI=1S/C8H4ClF2N5O2/c9-1-2(10)4-5(15-16-7(12)14-4)6(3(1)11)18-8(13)17/h(H2,13,17)(H2,12,14,16)
InChIKeyDWVARVHYLVWLLA-UHFFFAOYSA-N
XLogP1.00
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.60
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-6-chloro-1,2,4-benzotriazin-8-yl) carbamate
CID 175534971
(2-amino-4-chloro-3-fluorophenyl) carbamate
CID 150880588
(3-amino-5-chloro-2-fluorophenyl) carbamate
CID 174670432
(4-chloro-2-fluorothiophen-3-yl) carbamate
CID 175376629
(5-amino-2-chloro-3-fluorophenyl) carbamate
CID 150779474
(5-chloro-1H-pyrrolo[3,2-b]pyridin-3-yl) carbamate
CID 175391111
(6-chloro-5-fluoro-4-methyl-3-pyridinyl) carbamate
CID 175348088
(2-amino-4-bromo-6-chlorophenyl) carbamate
CID 131183552
(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate
CID 175119209
(5-bromo-6-fluoro-2-pyridinyl) carbamate
CID 146241183
(2,3,6,7-tetrafluorobenzimidazol-5-yl) carbamate
CID 142095249
(2-chloro-4-methyl-3-pyridinyl) carbamate
CID 89310539

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate?
The IUPAC name of (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate (CID 175284187) is (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate.
What is the SMILES notation for (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate?
The canonical SMILES for (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate is NC(=O)Oc1c(F)c(Cl)c(F)c2nc(N)nnc12.
What is the InChIKey of (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate?
The InChIKey is DWVARVHYLVWLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF2N5O2/c9-1-2(10)4-5(15-16-7(12)14-4)6(3(1)11)18-8(13)17/h(H2,13,17)(H2,12,14,16).
What are the key properties of (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate?
(3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate has a molecular weight of 275.60 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-chloro-5,7-difluoro-1,2,4-benzotriazin-8-yl) carbamate is sourced from PubChem (CID 175284187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).