(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone

C16H19N5O — CID 138382124

IUPAC(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone
SMILESCc1nnnn1Cc1ccc(C(=O)N2CC3CC3(C)C2)cc1
InChIInChI=1S/C16H19N5O/c1-11-17-18-19-21(11)8-12-3-5-13(6-4-12)15(22)20-9-14-7-16(14,2)10-20/h3-6,14H,7-10H2,1-2H3
InChIKeyLWUHYWIBGCFCAO-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.51
Rot. Bonds3

About (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone

(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone (PubChem CID 138382124) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone
PubChem CID138382124
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone
SMILESCc1nnnn1Cc1ccc(C(=O)N2CC3CC3(C)C2)cc1
InChIInChI=1S/C16H19N5O/c1-11-17-18-19-21(11)8-12-3-5-13(6-4-12)15(22)20-9-14-7-16(14,2)10-20/h3-6,14H,7-10H2,1-2H3
InChIKeyLWUHYWIBGCFCAO-UHFFFAOYSA-N
XLogP1.51
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone (CID 138382124) is (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone is Cc1nnnn1Cc1ccc(C(=O)N2CC3CC3(C)C2)cc1.
What is the InChIKey of (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone?
The InChIKey is LWUHYWIBGCFCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-17-18-19-21(11)8-12-3-5-13(6-4-12)15(22)20-9-14-7-16(14,2)10-20/h3-6,14H,7-10H2,1-2H3.
What are the key properties of (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone?
(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone has a molecular weight of 297.36 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-[4-[(5-methyltetrazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 138382124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).