5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

C7H9ClN4O — CID 138987607

IUPAC5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCl.NCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C7H8N4O.ClH/c8-4-5-3-7(12)11-6(10-5)1-2-9-11;/h1-3,9H,4,8H2;1H
InChIKeyWGZWGAKTKVHTPI-UHFFFAOYSA-N
MW200.63 g/mol
LogP-0.10
Rot. Bonds1

About 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride

5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (PubChem CID 138987607) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
PubChem CID138987607
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
SMILESCl.NCc1cc(=O)n2[nH]ccc2n1
InChIInChI=1S/C7H8N4O.ClH/c8-4-5-3-7(12)11-6(10-5)1-2-9-11;/h1-3,9H,4,8H2;1H
InChIKeyWGZWGAKTKVHTPI-UHFFFAOYSA-N
XLogP-0.10
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The IUPAC name of 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride (CID 138987607) is 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride.
What is the SMILES notation for 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The canonical SMILES for 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is Cl.NCc1cc(=O)n2[nH]ccc2n1.
What is the InChIKey of 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
The InChIKey is WGZWGAKTKVHTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O.ClH/c8-4-5-3-7(12)11-6(10-5)1-2-9-11;/h1-3,9H,4,8H2;1H.
What are the key properties of 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride?
5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 138987607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).