4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine

C14H18N6O — CID 97085016

IUPAC4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine
SMILESc1cc(O[C@H]2CCN(Cc3nnnn3C3CC3)C2)ccn1
InChIInChI=1S/C14H18N6O/c1-2-11(1)20-14(16-17-18-20)10-19-8-5-13(9-19)21-12-3-6-15-7-4-12/h3-4,6-7,11,13H,1-2,5,8-10H2/t13-/m0/s1
InChIKeyHZSZLMXBGYMUAZ-ZDUSSCGKSA-N
MW286.34 g/mol
LogP1.06
Rot. Bonds5

About 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine

4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine (PubChem CID 97085016) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine
PubChem CID97085016
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine
SMILESc1cc(O[C@H]2CCN(Cc3nnnn3C3CC3)C2)ccn1
InChIInChI=1S/C14H18N6O/c1-2-11(1)20-14(16-17-18-20)10-19-8-5-13(9-19)21-12-3-6-15-7-4-12/h3-4,6-7,11,13H,1-2,5,8-10H2/t13-/m0/s1
InChIKeyHZSZLMXBGYMUAZ-ZDUSSCGKSA-N
XLogP1.06
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine (CID 97085016) is 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine is c1cc(O[C@H]2CCN(Cc3nnnn3C3CC3)C2)ccn1.
What is the InChIKey of 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine?
The InChIKey is HZSZLMXBGYMUAZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N6O/c1-2-11(1)20-14(16-17-18-20)10-19-8-5-13(9-19)21-12-3-6-15-7-4-12/h3-4,6-7,11,13H,1-2,5,8-10H2/t13-/m0/s1.
What are the key properties of 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine?
4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine has a molecular weight of 286.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[(1-cyclopropyltetrazol-5-yl)methyl]pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 97085016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).