3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol

C9H11N5O — CID 84759515

IUPAC3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol
SMILESOCCCn1nnnc1-c1cccnc1
InChIInChI=1S/C9H11N5O/c15-6-2-5-14-9(11-12-13-14)8-3-1-4-10-7-8/h1,3-4,7,15H,2,5-6H2
InChIKeyPYMGTSQWCUNCLE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.12
Rot. Bonds4

About 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol

3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol (PubChem CID 84759515) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol
PubChem CID84759515
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol
SMILESOCCCn1nnnc1-c1cccnc1
InChIInChI=1S/C9H11N5O/c15-6-2-5-14-9(11-12-13-14)8-3-1-4-10-7-8/h1,3-4,7,15H,2,5-6H2
InChIKeyPYMGTSQWCUNCLE-UHFFFAOYSA-N
XLogP0.12
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(5-pyridin-3-yltetrazol-1-yl)propoxy]aniline
CID 84759851
3-[5-(2,6-difluorophenyl)tetrazol-1-yl]propan-1-ol
CID 84759516
3-[5-(furan-2-yl)tetrazol-1-yl]propan-1-ol
CID 84759555
3-[5-(4-propan-2-yloxyphenyl)tetrazol-1-yl]propan-1-ol
CID 84759531
4,4-dimethyl-2-[(5-pyridin-3-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475215
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
1-(3-hydroxypropyl)-2,5-dimethyl-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3485149
5-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 110922490
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
(1-hexyl-5-pyridin-3-yltriazol-4-yl)methanol
CID 82206041
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol?
The IUPAC name of 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol (CID 84759515) is 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol is OCCCn1nnnc1-c1cccnc1.
What is the InChIKey of 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol?
The InChIKey is PYMGTSQWCUNCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c15-6-2-5-14-9(11-12-13-14)8-3-1-4-10-7-8/h1,3-4,7,15H,2,5-6H2.
What are the key properties of 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol?
3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol has a molecular weight of 205.22 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-yltetrazol-1-yl)propan-1-ol is sourced from PubChem (CID 84759515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).