5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine

C16H14F3N7 — CID 1046868

IUPAC5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(N2CCCC2)ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C16H14F3N7/c17-16(18,19)13-12(10-20-15(21-13)25-8-4-5-9-25)14-22-23-24-26(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyWPOSWNNUUORXGD-UHFFFAOYSA-N
MW361.33 g/mol
LogP2.74
Rot. Bonds3

About 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine

5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine (PubChem CID 1046868) has the molecular formula C16H14F3N7 and a molecular weight of 361.33 g/mol. Its IUPAC name is 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
PubChem CID1046868
Molecular FormulaC16H14F3N7
Molecular Weight361.33 g/mol
Exact Mass361.13
IUPAC Name5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nc(N2CCCC2)ncc1-c1nnnn1-c1ccccc1
InChIInChI=1S/C16H14F3N7/c17-16(18,19)13-12(10-20-15(21-13)25-8-4-5-9-25)14-22-23-24-26(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyWPOSWNNUUORXGD-UHFFFAOYSA-N
XLogP2.74
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine (CID 1046868) is 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1nc(N2CCCC2)ncc1-c1nnnn1-c1ccccc1.
What is the InChIKey of 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
The InChIKey is WPOSWNNUUORXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N7/c17-16(18,19)13-12(10-20-15(21-13)25-8-4-5-9-25)14-22-23-24-26(14)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine?
5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine has a molecular weight of 361.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenyltetrazol-5-yl)-2-pyrrolidin-1-yl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 1046868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).