4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C17H12ClF3N6O — CID 139365792

IUPAC4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCn1nc(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C17H12ClF3N6O/c1-27-16(23-13-7-6-12-11(14(13)18)8-22-25-12)24-15(26-27)9-2-4-10(5-3-9)28-17(19,20)21/h2-8H,1H3,(H,22,25)(H,23,24,26)
InChIKeyMDGFBCOLPCCUOC-UHFFFAOYSA-N
MW408.77 g/mol
LogP4.65
Rot. Bonds4

About 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 139365792) has the molecular formula C17H12ClF3N6O and a molecular weight of 408.77 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID139365792
Molecular FormulaC17H12ClF3N6O
Molecular Weight408.77 g/mol
Exact Mass408.07
IUPAC Name4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCn1nc(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C17H12ClF3N6O/c1-27-16(23-13-7-6-12-11(14(13)18)8-22-25-12)24-15(26-27)9-2-4-10(5-3-9)28-17(19,20)21/h2-8H,1H3,(H,22,25)(H,23,24,26)
InChIKeyMDGFBCOLPCCUOC-UHFFFAOYSA-N
XLogP4.65
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.77
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine
CID 72725512
(1H-Indazol-5-yl)-[4-(4-trifluoromethoxyphenyl)pyrimidin-2-yl]amine
CID 76848956
US20230391736, Example 11
CID 170795189
US20230391736, Example 10
CID 170795188
4-N-[3-chloro-4-(trifluoromethoxy)phenyl]-5-fluoro-2-N-(1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 22060534
7-chloro-5-(5-fluoro-1H-indazol-6-yl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 73670624
N-[4,5-dimethyl-6-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]-1H-indazol-5-amine
CID 77108301
N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 122589648
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-2-methoxyphenoxy]-N-(1,1,1-trifluoropropan-2-yl)acetamide
CID 139351636
4-chloro-N-[5-(2-fluoro-5-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine
CID 139365530
2-[4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-3-fluorophenoxy]-N-propan-2-ylacetamide
CID 139365734
4-chloro-N-[2-methyl-5-[4-[2-(1,1,1-trifluoropropan-2-ylamino)ethoxy]cyclohexa-1,3-dien-1-yl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine
CID 139365901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 139365792) is 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine is Cn1nc(-c2ccc(OC(F)(F)F)cc2)nc1Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is MDGFBCOLPCCUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O/c1-27-16(23-13-7-6-12-11(14(13)18)8-22-25-12)24-15(26-27)9-2-4-10(5-3-9)28-17(19,20)21/h2-8H,1H3,(H,22,25)(H,23,24,26).
What are the key properties of 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 408.77 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 139365792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).