11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

C15H14N6 — CID 58382482

IUPAC11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESCn1[nH]cc2cnc3nc(-c4cnc5n4CCC5)cc3c21
InChIInChI=1S/C15H14N6/c1-20-14-9(7-18-20)6-17-15-10(14)5-11(19-15)12-8-16-13-3-2-4-21(12)13/h5-8,18H,2-4H2,1H3
InChIKeyRWPDOBNJWQCXQA-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.26
Rot. Bonds1

About 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene

11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (PubChem CID 58382482) has the molecular formula C15H14N6 and a molecular weight of 278.32 g/mol. Its IUPAC name is 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.

Molecular Properties

Compound Name11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
PubChem CID58382482
Molecular FormulaC15H14N6
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene
SMILESCn1[nH]cc2cnc3nc(-c4cnc5n4CCC5)cc3c21
InChIInChI=1S/C15H14N6/c1-20-14-9(7-18-20)6-17-15-10(14)5-11(19-15)12-8-16-13-3-2-4-21(12)13/h5-8,18H,2-4H2,1H3
InChIKeyRWPDOBNJWQCXQA-UHFFFAOYSA-N
XLogP2.26
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The IUPAC name of 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene (CID 58382482) is 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene.
What is the SMILES notation for 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The canonical SMILES for 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is Cn1[nH]cc2cnc3nc(-c4cnc5n4CCC5)cc3c21.
What is the InChIKey of 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
The InChIKey is RWPDOBNJWQCXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6/c1-20-14-9(7-18-20)6-17-15-10(14)5-11(19-15)12-8-16-13-3-2-4-21(12)13/h5-8,18H,2-4H2,1H3.
What are the key properties of 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene?
11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene has a molecular weight of 278.32 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaene is sourced from PubChem (CID 58382482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).