3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one

C6H6N4O — CID 15847419

IUPAC3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C6H6N4O/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H,7H2
InChIKeyFUSOVLABBHPMLG-UHFFFAOYSA-N
MW150.14 g/mol
LogP-0.40
Rot. Bonds

About 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 15847419) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID15847419
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1c[nH]n2c(=O)ccnc12
InChIInChI=1S/C6H6N4O/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H,7H2
InChIKeyFUSOVLABBHPMLG-UHFFFAOYSA-N
XLogP-0.40
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazolo[1,5-a]pyrimidin-7-ol
CID 335418
5-methyl-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10534815
5-(aminomethyl)-4H,7H-pyrazolo[1,5-a]pyrimidin-7-one
CID 84048439
3-Bromo-4h-pyrazolo[1,5-a]pyrimidin-7-one
CID 83678939
5-(Azidomethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 137945328
5-(Aminomethyl)pyrazolo(1,5-a)pyrimidin-7-ol hydrochloride
CID 138987607
6-Amino-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrobromide
CID 154832824
5-Aminopyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 13396556
2-Methylpyrazolo[1,5-A]pyrimidin-7(4H)-one
CID 15323003
6-fluoro-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 59462700
2-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-ol
CID 66974785
5-fluoro-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177088883

Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 15847419) is 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1c[nH]n2c(=O)ccnc12.
What is the InChIKey of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FUSOVLABBHPMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c7-4-3-9-10-5(11)1-2-8-6(4)10/h1-3,9H,7H2.
What are the key properties of 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 150.14 g/mol, XLogP of -0.40, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 15847419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).