2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C18H20N6 — CID 47069571

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(C2c3cccn3CCN2Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C18H20N6/c1-2-5-14(6-3-1)18-16-7-4-10-22(16)11-12-23(18)13-17-19-20-21-24(17)15-8-9-15/h1-7,10,15,18H,8-9,11-13H2
InChIKeyAUTMRSWGKHFQRE-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.41
Rot. Bonds4

About 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 47069571) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID47069571
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(C2c3cccn3CCN2Cc2nnnn2C2CC2)cc1
InChIInChI=1S/C18H20N6/c1-2-5-14(6-3-1)18-16-7-4-10-22(16)11-12-23(18)13-17-19-20-21-24(17)15-8-9-15/h1-7,10,15,18H,8-9,11-13H2
InChIKeyAUTMRSWGKHFQRE-UHFFFAOYSA-N
XLogP2.41
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 47069571) is 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is c1ccc(C2c3cccn3CCN2Cc2nnnn2C2CC2)cc1.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is AUTMRSWGKHFQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-2-5-14(6-3-1)18-16-7-4-10-22(16)11-12-23(18)13-17-19-20-21-24(17)15-8-9-15/h1-7,10,15,18H,8-9,11-13H2.
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 320.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methyl]-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 47069571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).