1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine

C12H16N4 — CID 124525829

IUPAC1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
SMILESc1ccn(Cc2ncn3c2CNCCC3)c1
InChIInChI=1S/C12H16N4/c1-2-6-15(5-1)9-11-12-8-13-4-3-7-16(12)10-14-11/h1-2,5-6,10,13H,3-4,7-9H2
InChIKeySYUGSIVOXKLQLQ-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.23
Rot. Bonds2

About 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine

1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine (PubChem CID 124525829) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
PubChem CID124525829
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
SMILESc1ccn(Cc2ncn3c2CNCCC3)c1
InChIInChI=1S/C12H16N4/c1-2-6-15(5-1)9-11-12-8-13-4-3-7-16(12)10-14-11/h1-2,5-6,10,13H,3-4,7-9H2
InChIKeySYUGSIVOXKLQLQ-UHFFFAOYSA-N
XLogP1.23
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
The IUPAC name of 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine (CID 124525829) is 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine is c1ccn(Cc2ncn3c2CNCCC3)c1.
What is the InChIKey of 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
The InChIKey is SYUGSIVOXKLQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-6-15(5-1)9-11-12-8-13-4-3-7-16(12)10-14-11/h1-2,5-6,10,13H,3-4,7-9H2.
What are the key properties of 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine?
1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine has a molecular weight of 216.29 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrol-1-ylmethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 124525829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).