3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane

C9H15N5 — CID 139800110

IUPAC3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane
SMILESCn1nnnc1CC1CN2CCC1C2
InChIInChI=1S/C9H15N5/c1-13-9(10-11-12-13)4-8-6-14-3-2-7(8)5-14/h7-8H,2-6H2,1H3
InChIKeyFBICNQSVLPFYNH-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.30
Rot. Bonds2

About 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane

3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane (PubChem CID 139800110) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane
PubChem CID139800110
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane
SMILESCn1nnnc1CC1CN2CCC1C2
InChIInChI=1S/C9H15N5/c1-13-9(10-11-12-13)4-8-6-14-3-2-7(8)5-14/h7-8H,2-6H2,1H3
InChIKeyFBICNQSVLPFYNH-UHFFFAOYSA-N
XLogP-0.30
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane (CID 139800110) is 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane is Cn1nnnc1CC1CN2CCC1C2.
What is the InChIKey of 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane?
The InChIKey is FBICNQSVLPFYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-13-9(10-11-12-13)4-8-6-14-3-2-7(8)5-14/h7-8H,2-6H2,1H3.
What are the key properties of 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane?
3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane has a molecular weight of 193.25 g/mol, XLogP of -0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 139800110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).