6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone

C15H15N7O — CID 129488432

IUPAC6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1cc(C(=O)N2CCCn3nnnc32)cn1
InChIInChI=1S/C15H15N7O/c1-11-5-2-3-6-13(11)22-10-12(9-16-22)14(23)20-7-4-8-21-15(20)17-18-19-21/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyXHGCHJBZZKYQMA-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.22
Rot. Bonds2

About 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone

6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone (PubChem CID 129488432) has the molecular formula C15H15N7O and a molecular weight of 309.33 g/mol. Its IUPAC name is 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone
PubChem CID129488432
Molecular FormulaC15H15N7O
Molecular Weight309.33 g/mol
Exact Mass309.13
IUPAC Name6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone
SMILESCc1ccccc1-n1cc(C(=O)N2CCCn3nnnc32)cn1
InChIInChI=1S/C15H15N7O/c1-11-5-2-3-6-13(11)22-10-12(9-16-22)14(23)20-7-4-8-21-15(20)17-18-19-21/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyXHGCHJBZZKYQMA-UHFFFAOYSA-N
XLogP1.22
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone (CID 129488432) is 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone is Cc1ccccc1-n1cc(C(=O)N2CCCn3nnnc32)cn1.
What is the InChIKey of 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
The InChIKey is XHGCHJBZZKYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O/c1-11-5-2-3-6-13(11)22-10-12(9-16-22)14(23)20-7-4-8-21-15(20)17-18-19-21/h2-3,5-6,9-10H,4,7-8H2,1H3.
What are the key properties of 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone?
6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone has a molecular weight of 309.33 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-tetrazolo[1,5-a]pyrimidin-4-yl-[1-(2-methylphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 129488432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).