5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine

C14H15ClN4 — CID 103055274

IUPAC5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESClc1cnc(CN2CCCNc3ccccc32)cn1
InChIInChI=1S/C14H15ClN4/c15-14-9-17-11(8-18-14)10-19-7-3-6-16-12-4-1-2-5-13(12)19/h1-2,4-5,8-9,16H,3,6-7,10H2
InChIKeyNGWJPRXUPNOVSW-UHFFFAOYSA-N
MW274.75 g/mol
LogP2.95
Rot. Bonds2

About 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine

5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine (PubChem CID 103055274) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine.

Molecular Properties

Compound Name5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
PubChem CID103055274
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
SMILESClc1cnc(CN2CCCNc3ccccc32)cn1
InChIInChI=1S/C14H15ClN4/c15-14-9-17-11(8-18-14)10-19-7-3-6-16-12-4-1-2-5-13(12)19/h1-2,4-5,8-9,16H,3,6-7,10H2
InChIKeyNGWJPRXUPNOVSW-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,6-dichloro-3-pyridinyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 116519857
5-[(5-chloropyrazin-2-yl)methyl]-3,4-dihydro-2H-1,5-benzoxazepine
CID 103054385
5-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311343
5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311351
5-[(4-chloro-3-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 107883138
5-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311321
5-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311455
5-methyl-3-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-ylmethyl)-1,2,4-oxadiazole
CID 115311521
1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
CID 103054490
5-[(2,4-difluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311322
5-[(3-bromo-5-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311446
4-[(4-methylphenyl)methyl]-2,3-dihydro-1H-quinoxaline
CID 60811841

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The IUPAC name of 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine (CID 103055274) is 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine.
What is the SMILES notation for 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The canonical SMILES for 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine is Clc1cnc(CN2CCCNc3ccccc32)cn1.
What is the InChIKey of 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
The InChIKey is NGWJPRXUPNOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c15-14-9-17-11(8-18-14)10-19-7-3-6-16-12-4-1-2-5-13(12)19/h1-2,4-5,8-9,16H,3,6-7,10H2.
What are the key properties of 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine?
5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine has a molecular weight of 274.75 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloropyrazin-2-yl)methyl]-1,2,3,4-tetrahydro-1,5-benzodiazepine is sourced from PubChem (CID 103055274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).