1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine

C15H12ClF3N6O — CID 1487159

IUPAC1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H12ClF3N6O/c1-24(2)14-21-22-23-25(14)10-3-5-11(6-4-10)26-13-12(16)7-9(8-20-13)15(17,18)19/h3-8H,1-2H3
InChIKeyDXKFZDMRHTZIHP-UHFFFAOYSA-N
MW384.75 g/mol
LogP3.59
Rot. Bonds4

About 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine

1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine (PubChem CID 1487159) has the molecular formula C15H12ClF3N6O and a molecular weight of 384.75 g/mol. Its IUPAC name is 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine.

Molecular Properties

Compound Name1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine
PubChem CID1487159
Molecular FormulaC15H12ClF3N6O
Molecular Weight384.75 g/mol
Exact Mass384.07
IUPAC Name1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine
SMILESCN(C)c1nnnn1-c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C15H12ClF3N6O/c1-24(2)14-21-22-23-25(14)10-3-5-11(6-4-10)26-13-12(16)7-9(8-20-13)15(17,18)19/h3-8H,1-2H3
InChIKeyDXKFZDMRHTZIHP-UHFFFAOYSA-N
XLogP3.59
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.75
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine with MolForge

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Related Compounds

3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 2735828
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] carbonochloridate
CID 22047691
(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetamide
CID 173117551
4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]sulfanylphenol
CID 139697363
methyl N-[2-chloro-4-(trifluoromethyl)phenyl]-N-[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]carbamate
CID 19609788
3-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-5-(trifluoromethyl)pyridine
CID 2460313
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] propaneperoxoate
CID 22070374
2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 176902739
(E)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-3-(dimethylamino)prop-2-en-1-one
CID 1485961
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine?
The IUPAC name of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine (CID 1487159) is 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine.
What is the SMILES notation for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine?
The canonical SMILES for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine is CN(C)c1nnnn1-c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine?
The InChIKey is DXKFZDMRHTZIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N6O/c1-24(2)14-21-22-23-25(14)10-3-5-11(6-4-10)26-13-12(16)7-9(8-20-13)15(17,18)19/h3-8H,1-2H3.
What are the key properties of 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine?
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine has a molecular weight of 384.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N,N-dimethyltetrazol-5-amine is sourced from PubChem (CID 1487159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).