N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide

C15H19N5O3S — CID 118745167

IUPACN-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1COCc2c(-c3ccncc3)nnn2C1)C1CC1
InChIInChI=1S/C15H19N5O3S/c21-24(22,13-1-2-13)17-7-11-8-20-14(10-23-9-11)15(18-19-20)12-3-5-16-6-4-12/h3-6,11,13,17H,1-2,7-10H2
InChIKeyRZRQFMRGOQBMTD-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.57
Rot. Bonds5

About N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide

N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide (PubChem CID 118745167) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide
PubChem CID118745167
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1COCc2c(-c3ccncc3)nnn2C1)C1CC1
InChIInChI=1S/C15H19N5O3S/c21-24(22,13-1-2-13)17-7-11-8-20-14(10-23-9-11)15(18-19-20)12-3-5-16-6-4-12/h3-6,11,13,17H,1-2,7-10H2
InChIKeyRZRQFMRGOQBMTD-UHFFFAOYSA-N
XLogP0.57
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide (CID 118745167) is N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCC1COCc2c(-c3ccncc3)nnn2C1)C1CC1.
What is the InChIKey of N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide?
The InChIKey is RZRQFMRGOQBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c21-24(22,13-1-2-13)17-7-11-8-20-14(10-23-9-11)15(18-19-20)12-3-5-16-6-4-12/h3-6,11,13,17H,1-2,7-10H2.
What are the key properties of N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide?
N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-4-yl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 118745167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).