3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol

C14H15N5O2 — CID 175238877

IUPAC3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol
SMILESOC(CCc1cc(Cc2ccccn2)co1)c1nn[nH]n1
InChIInChI=1S/C14H15N5O2/c20-13(14-16-18-19-17-14)5-4-12-8-10(9-21-12)7-11-3-1-2-6-15-11/h1-3,6,8-9,13,20H,4-5,7H2,(H,16,17,18,19)
InChIKeyAZOLILMAXWINKF-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.44
Rot. Bonds6

About 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol

3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol (PubChem CID 175238877) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol
PubChem CID175238877
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol
SMILESOC(CCc1cc(Cc2ccccn2)co1)c1nn[nH]n1
InChIInChI=1S/C14H15N5O2/c20-13(14-16-18-19-17-14)5-4-12-8-10(9-21-12)7-11-3-1-2-6-15-11/h1-3,6,8-9,13,20H,4-5,7H2,(H,16,17,18,19)
InChIKeyAZOLILMAXWINKF-UHFFFAOYSA-N
XLogP1.44
TPSA100.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-1-[4-(pyridin-2-ylmethyl)furan-2-yl]-3-(2H-tetrazol-5-yl)prop-2-en-1-one
CID 69139968
2-[[3,5-bis(pyridin-2-ylmethyl)phenyl]methyl]pyridine
CID 102075718
(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
CID 124566909
1-(2H-tetrazol-5-yl)butan-1-ol
CID 69249194
pyridin-2-yl(2H-tetrazol-5-yl)methanamine
CID 55269695
3-[5-(pyridin-2-ylmethyl)thiophen-3-yl]-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 69140107
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
1-(3-propylphenyl)-3-pyridin-2-ylpropan-1-ol
CID 105131085
3-[2-(pyridin-2-ylmethyl)furan-3-yl]-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 69141552
3-pyridin-2-yl-3-(2H-tetrazol-5-yl)propanoic acid
CID 82127415
1-(furan-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105122992
2-[3-methyl-2-(2H-tetrazol-5-ylmethyl)butyl]pyridine
CID 57109567

Frequently Asked Questions

What is the IUPAC name of 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol?
The IUPAC name of 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol (CID 175238877) is 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol is OC(CCc1cc(Cc2ccccn2)co1)c1nn[nH]n1.
What is the InChIKey of 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol?
The InChIKey is AZOLILMAXWINKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c20-13(14-16-18-19-17-14)5-4-12-8-10(9-21-12)7-11-3-1-2-6-15-11/h1-3,6,8-9,13,20H,4-5,7H2,(H,16,17,18,19).
What are the key properties of 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol?
3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol has a molecular weight of 285.31 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(pyridin-2-ylmethyl)furan-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol is sourced from PubChem (CID 175238877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).