6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine

C18H14N8O — CID 170313911

IUPAC6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2cnc3c(-c4nn[nH]n4)c(N)nn3c2)c2ccccc2c1
InChIInChI=1S/C18H14N8O/c1-27-12-6-10-4-2-3-5-13(10)14(7-12)11-8-20-18-15(17-21-24-25-22-17)16(19)23-26(18)9-11/h2-9H,1H3,(H2,19,23)(H,21,22,24,25)
InChIKeyYBGURVVJBXUDTD-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.32
Rot. Bonds3

About 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine

6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 170313911) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID170313911
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1cc(-c2cnc3c(-c4nn[nH]n4)c(N)nn3c2)c2ccccc2c1
InChIInChI=1S/C18H14N8O/c1-27-12-6-10-4-2-3-5-13(10)14(7-12)11-8-20-18-15(17-21-24-25-22-17)16(19)23-26(18)9-11/h2-9H,1H3,(H2,19,23)(H,21,22,24,25)
InChIKeyYBGURVVJBXUDTD-UHFFFAOYSA-N
XLogP2.32
TPSA119.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine (CID 170313911) is 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine is COc1cc(-c2cnc3c(-c4nn[nH]n4)c(N)nn3c2)c2ccccc2c1.
What is the InChIKey of 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is YBGURVVJBXUDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O/c1-27-12-6-10-4-2-3-5-13(10)14(7-12)11-8-20-18-15(17-21-24-25-22-17)16(19)23-26(18)9-11/h2-9H,1H3,(H2,19,23)(H,21,22,24,25).
What are the key properties of 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine?
6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 358.37 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxynaphthalen-1-yl)-3-(2H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 170313911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).