3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C16H18N8 — CID 167983862

IUPAC3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(-c2nnc3n2CCN(CC2(c4nn[nH]n4)CC2)C3)cc1
InChIInChI=1S/C16H18N8/c1-2-4-12(5-3-1)14-18-17-13-10-23(8-9-24(13)14)11-16(6-7-16)15-19-21-22-20-15/h1-5H,6-11H2,(H,19,20,21,22)
InChIKeyNVQOUUHUTQOIEQ-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.01
Rot. Bonds4

About 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 167983862) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID167983862
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1ccc(-c2nnc3n2CCN(CC2(c4nn[nH]n4)CC2)C3)cc1
InChIInChI=1S/C16H18N8/c1-2-4-12(5-3-1)14-18-17-13-10-23(8-9-24(13)14)11-16(6-7-16)15-19-21-22-20-15/h1-5H,6-11H2,(H,19,20,21,22)
InChIKeyNVQOUUHUTQOIEQ-UHFFFAOYSA-N
XLogP1.01
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 167983862) is 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1ccc(-c2nnc3n2CCN(CC2(c4nn[nH]n4)CC2)C3)cc1.
What is the InChIKey of 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NVQOUUHUTQOIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c1-2-4-12(5-3-1)14-18-17-13-10-23(8-9-24(13)14)11-16(6-7-16)15-19-21-22-20-15/h1-5H,6-11H2,(H,19,20,21,22).
What are the key properties of 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 322.38 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-[[1-(2H-tetrazol-5-yl)cyclopropyl]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 167983862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).