4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine

C16H24N6O — CID 649075

IUPAC4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine
SMILESCCC(C)(C)n1nnnc1C(c1ccccn1)N1CCOCC1
InChIInChI=1S/C16H24N6O/c1-4-16(2,3)22-15(18-19-20-22)14(13-7-5-6-8-17-13)21-9-11-23-12-10-21/h5-8,14H,4,9-12H2,1-3H3
InChIKeyUFZGVXRCGOXXJY-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.63
Rot. Bonds5

About 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine

4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine (PubChem CID 649075) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine
PubChem CID649075
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine
SMILESCCC(C)(C)n1nnnc1C(c1ccccn1)N1CCOCC1
InChIInChI=1S/C16H24N6O/c1-4-16(2,3)22-15(18-19-20-22)14(13-7-5-6-8-17-13)21-9-11-23-12-10-21/h5-8,14H,4,9-12H2,1-3H3
InChIKeyUFZGVXRCGOXXJY-UHFFFAOYSA-N
XLogP1.63
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine?
The IUPAC name of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine (CID 649075) is 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine.
What is the SMILES notation for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine?
The canonical SMILES for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine is CCC(C)(C)n1nnnc1C(c1ccccn1)N1CCOCC1.
What is the InChIKey of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine?
The InChIKey is UFZGVXRCGOXXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-16(2,3)22-15(18-19-20-22)14(13-7-5-6-8-17-13)21-9-11-23-12-10-21/h5-8,14H,4,9-12H2,1-3H3.
What are the key properties of 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine?
4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine has a molecular weight of 316.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]-pyridin-2-ylmethyl]morpholine is sourced from PubChem (CID 649075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).