1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

C13H13N7 — CID 63100704

IUPAC1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESc1ccc2c(c1)CNCCN2c1cncc2nnnn12
InChIInChI=1S/C13H13N7/c1-2-4-11-10(3-1)7-14-5-6-19(11)13-9-15-8-12-16-17-18-20(12)13/h1-4,8-9,14H,5-7H2
InChIKeyBMAVLUPGHFTQOW-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.76
Rot. Bonds1

About 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine

1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 63100704) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID63100704
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESc1ccc2c(c1)CNCCN2c1cncc2nnnn12
InChIInChI=1S/C13H13N7/c1-2-4-11-10(3-1)7-14-5-6-19(11)13-9-15-8-12-16-17-18-20(12)13/h1-4,8-9,14H,5-7H2
InChIKeyBMAVLUPGHFTQOW-UHFFFAOYSA-N
XLogP0.76
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 63100704) is 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is c1ccc2c(c1)CNCCN2c1cncc2nnnn12.
What is the InChIKey of 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is BMAVLUPGHFTQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c1-2-4-11-10(3-1)7-14-5-6-19(11)13-9-15-8-12-16-17-18-20(12)13/h1-4,8-9,14H,5-7H2.
What are the key properties of 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine?
1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 267.30 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tetrazolo[1,5-a]pyrazin-5-yl)-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 63100704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).