(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol

C14H20N4O — CID 102325180

IUPAC(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol
SMILESCCCCC(CCO)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N4O/c1-2-3-9-13(10-11-19)18-16-14(15-17-18)12-7-5-4-6-8-12/h4-8,13,19H,2-3,9-11H2,1H3
InChIKeyLCAYGPAWWSLTFW-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds7

About (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol

(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol (PubChem CID 102325180) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol.

Molecular Properties

Compound Name(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol
PubChem CID102325180
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol
SMILESCCCCC(CCO)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N4O/c1-2-3-9-13(10-11-19)18-16-14(15-17-18)12-7-5-4-6-8-12/h4-8,13,19H,2-3,9-11H2,1H3
InChIKeyLCAYGPAWWSLTFW-UHFFFAOYSA-N
XLogP2.45
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butoxybutyl)-5-phenyltetrazole
CID 132568651
2-decan-5-ylbenzotriazole
CID 10264563
2-(5-phenyltetrazol-2-yl)pentanehydrazide
CID 83048205
2-(5-phenyltetrazol-2-yl)butanehydrazide
CID 63573923
2-methyl-3-(5-phenyltetrazol-2-yl)butan-1-amine
CID 79409199
3-methoxy-2-(5-phenyltetrazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 103227465
N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
N-methyl-2-phenyl-2-(5-phenyltetrazol-2-yl)ethanamine
CID 62448473
2-[(Z)-1-bromooct-1-en-2-yl]-5-phenyltetrazole
CID 122391884
N'-[2-[5-(4-chlorophenyl)tetrazol-2-yl]butanoyl]benzohydrazide
CID 51246951
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol?
The IUPAC name of (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol (CID 102325180) is (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol.
What is the SMILES notation for (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol?
The canonical SMILES for (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol is CCCCC(CCO)n1nnc(-c2ccccc2)n1.
What is the InChIKey of (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol?
The InChIKey is LCAYGPAWWSLTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-2-3-9-13(10-11-19)18-16-14(15-17-18)12-7-5-4-6-8-12/h4-8,13,19H,2-3,9-11H2,1H3.
What are the key properties of (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol?
(3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol has a molecular weight of 260.34 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-phenyltetrazol-2-yl)heptan-1-ol is sourced from PubChem (CID 102325180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).