3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol

C17H17F3N6O — CID 142467962

IUPAC3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
SMILESNCC(CO)n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)11-5-7-12(8-6-11)22-15-4-2-1-3-14(15)16-23-25-26(24-16)13(9-21)10-27/h1-8,13,22,27H,9-10,21H2
InChIKeyOIWBCAZOLPDMSK-UHFFFAOYSA-N
MW378.36 g/mol
LogP2.59
Rot. Bonds6

About 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol

3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol (PubChem CID 142467962) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
PubChem CID142467962
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol
SMILESNCC(CO)n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6O/c18-17(19,20)11-5-7-12(8-6-11)22-15-4-2-1-3-14(15)16-23-25-26(24-16)13(9-21)10-27/h1-8,13,22,27H,9-10,21H2
InChIKeyOIWBCAZOLPDMSK-UHFFFAOYSA-N
XLogP2.59
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The IUPAC name of 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol (CID 142467962) is 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol is NCC(CO)n1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
The InChIKey is OIWBCAZOLPDMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6O/c18-17(19,20)11-5-7-12(8-6-11)22-15-4-2-1-3-14(15)16-23-25-26(24-16)13(9-21)10-27/h1-8,13,22,27H,9-10,21H2.
What are the key properties of 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol?
3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol has a molecular weight of 378.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propan-1-ol is sourced from PubChem (CID 142467962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).