1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine

C9H12N4 — CID 84717800

IUPAC1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
SMILESCc1cnc2c(C(C)N)cnn2c1
InChIInChI=1S/C9H12N4/c1-6-3-11-9-8(7(2)10)4-12-13(9)5-6/h3-5,7H,10H2,1-2H3
InChIKeyJTNOALGQJJQQTE-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.06
Rot. Bonds1

About 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine

1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine (PubChem CID 84717800) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine.

Molecular Properties

Compound Name1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
PubChem CID84717800
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine
SMILESCc1cnc2c(C(C)N)cnn2c1
InChIInChI=1S/C9H12N4/c1-6-3-11-9-8(7(2)10)4-12-13(9)5-6/h3-5,7H,10H2,1-2H3
InChIKeyJTNOALGQJJQQTE-UHFFFAOYSA-N
XLogP1.06
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
The IUPAC name of 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine (CID 84717800) is 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine.
What is the SMILES notation for 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
The canonical SMILES for 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine is Cc1cnc2c(C(C)N)cnn2c1.
What is the InChIKey of 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
The InChIKey is JTNOALGQJJQQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-6-3-11-9-8(7(2)10)4-12-13(9)5-6/h3-5,7H,10H2,1-2H3.
What are the key properties of 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine?
1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine has a molecular weight of 176.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylpyrazolo[1,5-a]pyrimidin-3-yl)ethanamine is sourced from PubChem (CID 84717800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).