1-(2H-tetrazol-5-yl)butan-1-ol

C5H10N4O — CID 69249194

IUPAC1-(2H-tetrazol-5-yl)butan-1-ol
SMILESCCCC(O)c1nn[nH]n1
InChIInChI=1S/C5H10N4O/c1-2-3-4(10)5-6-8-9-7-5/h4,10H,2-3H2,1H3,(H,6,7,8,9)
InChIKeyXNKOTGYCEZVRDQ-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.03
Rot. Bonds3

About 1-(2H-tetrazol-5-yl)butan-1-ol

1-(2H-tetrazol-5-yl)butan-1-ol (PubChem CID 69249194) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(2H-tetrazol-5-yl)butan-1-ol.

Molecular Properties

Compound Name1-(2H-tetrazol-5-yl)butan-1-ol
PubChem CID69249194
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name1-(2H-tetrazol-5-yl)butan-1-ol
SMILESCCCC(O)c1nn[nH]n1
InChIInChI=1S/C5H10N4O/c1-2-3-4(10)5-6-8-9-7-5/h4,10H,2-3H2,1H3,(H,6,7,8,9)
InChIKeyXNKOTGYCEZVRDQ-UHFFFAOYSA-N
XLogP0.03
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 123691063
(1R)-7-phenyl-1-(2H-tetrazol-5-yl)heptan-1-ol
CID 124566909
(2S)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 107569502
5-(1-chloroethyl)-2H-tetrazole
CID 24820228
1-(2H-tetrazol-5-yl)propan-1-amine;hydrochloride
CID 77200970
3-[1-[1-(4-methylphenyl)propyl]pyrrol-2-yl]-1-(2H-tetrazol-5-yl)propan-1-ol
CID 174451594
(2R)-2-[(1S)-2-phenyl-1-(2H-tetrazol-5-yl)ethyl]pentanoic acid
CID 118499935
N'-[1-(2H-tetrazol-5-yl)ethyl]propanimidamide
CID 63176410
3-(2H-tetrazol-5-yl)pentanoic acid
CID 68921158
4-(methylamino)-N-[1-(2H-tetrazol-5-yl)butyl]butanamide;hydrochloride
CID 119813138
[ethoxy(2H-tetrazol-5-yl)methyl]-trimethylsilane
CID 54129421
N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513

Frequently Asked Questions

What is the IUPAC name of 1-(2H-tetrazol-5-yl)butan-1-ol?
The IUPAC name of 1-(2H-tetrazol-5-yl)butan-1-ol (CID 69249194) is 1-(2H-tetrazol-5-yl)butan-1-ol.
What is the SMILES notation for 1-(2H-tetrazol-5-yl)butan-1-ol?
The canonical SMILES for 1-(2H-tetrazol-5-yl)butan-1-ol is CCCC(O)c1nn[nH]n1.
What is the InChIKey of 1-(2H-tetrazol-5-yl)butan-1-ol?
The InChIKey is XNKOTGYCEZVRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-2-3-4(10)5-6-8-9-7-5/h4,10H,2-3H2,1H3,(H,6,7,8,9).
What are the key properties of 1-(2H-tetrazol-5-yl)butan-1-ol?
1-(2H-tetrazol-5-yl)butan-1-ol has a molecular weight of 142.16 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-tetrazol-5-yl)butan-1-ol is sourced from PubChem (CID 69249194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).