2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol

C14H20N6O — CID 63309679

IUPAC2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6O/c21-12-11-18-7-4-8-19(10-9-18)14-15-16-17-20(14)13-5-2-1-3-6-13/h1-3,5-6,21H,4,7-12H2
InChIKeyVPEFLKBNMWOODX-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.17
Rot. Bonds4

About 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 63309679) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID63309679
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C14H20N6O/c21-12-11-18-7-4-8-19(10-9-18)14-15-16-17-20(14)13-5-2-1-3-6-13/h1-3,5-6,21H,4,7-12H2
InChIKeyVPEFLKBNMWOODX-UHFFFAOYSA-N
XLogP0.17
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628304
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55601224
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 55600924
[(3S)-3-phenyl-1-(1-phenyltetrazol-5-yl)piperidin-3-yl]methanol
CID 124735845
N-benzyl-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 26041068
1-cyclopropyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 47453668
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
1-pentan-3-yl-4-(1-phenyltetrazol-5-yl)piperazine
CID 50965439
1-(1-phenyltetrazol-5-yl)piperidin-3-ol
CID 18074907
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol (CID 63309679) is 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is VPEFLKBNMWOODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-12-11-18-7-4-8-19(10-9-18)14-15-16-17-20(14)13-5-2-1-3-6-13/h1-3,5-6,21H,4,7-12H2.
What are the key properties of 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 288.35 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 63309679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).