N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

C16H16N8O — CID 86697421

IUPACN-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOCCNc1ccn2ncc(-c3ccc(-c4nn[nH]n4)cc3)c2n1
InChIInChI=1S/C16H16N8O/c1-25-9-7-17-14-6-8-24-16(19-14)13(10-18-24)11-2-4-12(5-3-11)15-20-22-23-21-15/h2-6,8,10H,7,9H2,1H3,(H,17,19)(H,20,21,22,23)
InChIKeyJDIMQUKJAVZZGD-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.63
Rot. Bonds6

About N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 86697421) has the molecular formula C16H16N8O and a molecular weight of 336.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID86697421
Molecular FormulaC16H16N8O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC NameN-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOCCNc1ccn2ncc(-c3ccc(-c4nn[nH]n4)cc3)c2n1
InChIInChI=1S/C16H16N8O/c1-25-9-7-17-14-6-8-24-16(19-14)13(10-18-24)11-2-4-12(5-3-11)15-20-22-23-21-15/h2-6,8,10H,7,9H2,1H3,(H,17,19)(H,20,21,22,23)
InChIKeyJDIMQUKJAVZZGD-UHFFFAOYSA-N
XLogP1.63
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 86697421) is N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is COCCNc1ccn2ncc(-c3ccc(-c4nn[nH]n4)cc3)c2n1.
What is the InChIKey of N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is JDIMQUKJAVZZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O/c1-25-9-7-17-14-6-8-24-16(19-14)13(10-18-24)11-2-4-12(5-3-11)15-20-22-23-21-15/h2-6,8,10H,7,9H2,1H3,(H,17,19)(H,20,21,22,23).
What are the key properties of N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 336.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 86697421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).