3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

C17H15N7O2 — CID 70677534

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5c(c4)OCCO5)c3n2)cn1
InChIInChI=1S/C17H15N7O2/c1-23-10-12(7-19-23)13-8-18-16-17(20-13)24(22-21-16)9-11-2-3-14-15(6-11)26-5-4-25-14/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyRSNMZPGHDNIUJO-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.44
Rot. Bonds3

About 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine

3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (PubChem CID 70677534) has the molecular formula C17H15N7O2 and a molecular weight of 349.35 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
PubChem CID70677534
Molecular FormulaC17H15N7O2
Molecular Weight349.35 g/mol
Exact Mass349.13
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
SMILESCn1cc(-c2cnc3nnn(Cc4ccc5c(c4)OCCO5)c3n2)cn1
InChIInChI=1S/C17H15N7O2/c1-23-10-12(7-19-23)13-8-18-16-17(20-13)24(22-21-16)9-11-2-3-14-15(6-11)26-5-4-25-14/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyRSNMZPGHDNIUJO-UHFFFAOYSA-N
XLogP1.44
TPSA92.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

CP466722
CID 44551660
Unii-XX8E5WP7FS
CID 118009787
Methyl substituted pyrazole, 27
CID 23648674
Methyl substituted pyrazole, 28
CID 23648676
8-(4-Methoxyphenyl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59199121
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridine
CID 854979
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
Lmtk3-IN-1
CID 138454301
2-methoxy-4-[(1E)-(2-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}hydrazin-1-ylidene)methyl]phenol
CID 90928973
2-(2,3-Dihydrobenzo(b)(1,4)dioxin-6-yl)-6-methylimidazo(1,2-a)pyridine
CID 2813456

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine (CID 70677534) is 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is Cn1cc(-c2cnc3nnn(Cc4ccc5c(c4)OCCO5)c3n2)cn1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
The InChIKey is RSNMZPGHDNIUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O2/c1-23-10-12(7-19-23)13-8-18-16-17(20-13)24(22-21-16)9-11-2-3-14-15(6-11)26-5-4-25-14/h2-3,6-8,10H,4-5,9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine?
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine has a molecular weight of 349.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine is sourced from PubChem (CID 70677534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).