azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine

C12H10ClF3N6 — CID 175213889

IUPACazane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine
SMILESN.Nc1ccc2c(cnn2-c2nc(Cl)ncc2C(F)(F)F)c1
InChIInChI=1S/C12H7ClF3N5.H3N/c13-11-18-5-8(12(14,15)16)10(20-11)21-9-2-1-7(17)3-6(9)4-19-21;/h1-5H,17H2;1H3
InChIKeyGNDMJYNDDFCWCZ-UHFFFAOYSA-N
MW330.70 g/mol
LogP3.23
Rot. Bonds1

About azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine

azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine (PubChem CID 175213889) has the molecular formula C12H10ClF3N6 and a molecular weight of 330.70 g/mol. Its IUPAC name is azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine.

Molecular Properties

Compound Nameazane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine
PubChem CID175213889
Molecular FormulaC12H10ClF3N6
Molecular Weight330.70 g/mol
Exact Mass330.06
IUPAC Nameazane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine
SMILESN.Nc1ccc2c(cnn2-c2nc(Cl)ncc2C(F)(F)F)c1
InChIInChI=1S/C12H7ClF3N5.H3N/c13-11-18-5-8(12(14,15)16)10(20-11)21-9-2-1-7(17)3-6(9)4-19-21;/h1-5H,17H2;1H3
InChIKeyGNDMJYNDDFCWCZ-UHFFFAOYSA-N
XLogP3.23
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.70
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine?
The IUPAC name of azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine (CID 175213889) is azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine.
What is the SMILES notation for azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine?
The canonical SMILES for azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine is N.Nc1ccc2c(cnn2-c2nc(Cl)ncc2C(F)(F)F)c1.
What is the InChIKey of azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine?
The InChIKey is GNDMJYNDDFCWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF3N5.H3N/c13-11-18-5-8(12(14,15)16)10(20-11)21-9-2-1-7(17)3-6(9)4-19-21;/h1-5H,17H2;1H3.
What are the key properties of azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine?
azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine has a molecular weight of 330.70 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indazol-5-amine is sourced from PubChem (CID 175213889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).