3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

C15H18N4 — CID 107389084

IUPAC3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCC1CN(Cc2cnccn2)c2ccccc2CN1
InChIInChI=1S/C15H18N4/c1-12-10-19(11-14-9-16-6-7-17-14)15-5-3-2-4-13(15)8-18-12/h2-7,9,12,18H,8,10-11H2,1H3
InChIKeyDKUSMLKTASZNFD-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.97
Rot. Bonds2

About 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 107389084) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID107389084
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCC1CN(Cc2cnccn2)c2ccccc2CN1
InChIInChI=1S/C15H18N4/c1-12-10-19(11-14-9-16-6-7-17-14)15-5-3-2-4-13(15)8-18-12/h2-7,9,12,18H,8,10-11H2,1H3
InChIKeyDKUSMLKTASZNFD-UHFFFAOYSA-N
XLogP1.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 107389084) is 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is CC1CN(Cc2cnccn2)c2ccccc2CN1.
What is the InChIKey of 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is DKUSMLKTASZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12-10-19(11-14-9-16-6-7-17-14)15-5-3-2-4-13(15)8-18-12/h2-7,9,12,18H,8,10-11H2,1H3.
What are the key properties of 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 254.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyrazin-2-ylmethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 107389084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).