2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine

C10H13N7 — CID 71057760

IUPAC2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine
SMILESCc1[nH]n2nc(CCN)nc2c1-n1cccn1
InChIInChI=1S/C10H13N7/c1-7-9(16-6-2-5-12-16)10-13-8(3-4-11)15-17(10)14-7/h2,5-6,14H,3-4,11H2,1H3
InChIKeyVWJCINJXYYPXDB-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.05
Rot. Bonds3

About 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine

2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine (PubChem CID 71057760) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine
PubChem CID71057760
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine
SMILESCc1[nH]n2nc(CCN)nc2c1-n1cccn1
InChIInChI=1S/C10H13N7/c1-7-9(16-6-2-5-12-16)10-13-8(3-4-11)15-17(10)14-7/h2,5-6,14H,3-4,11H2,1H3
InChIKeyVWJCINJXYYPXDB-UHFFFAOYSA-N
XLogP0.05
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
The IUPAC name of 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine (CID 71057760) is 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine.
What is the SMILES notation for 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
The canonical SMILES for 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine is Cc1[nH]n2nc(CCN)nc2c1-n1cccn1.
What is the InChIKey of 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
The InChIKey is VWJCINJXYYPXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c1-7-9(16-6-2-5-12-16)10-13-8(3-4-11)15-17(10)14-7/h2,5-6,14H,3-4,11H2,1H3.
What are the key properties of 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine?
2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine has a molecular weight of 231.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-7-pyrazol-1-yl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)ethanamine is sourced from PubChem (CID 71057760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).