4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one

C10H11N7O2 — CID 103995180

IUPAC4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C10H11N7O2/c1-19-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15)
InChIKeySBCIEDIEUZEHIQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP-0.44
Rot. Bonds3

About 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one

4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one (PubChem CID 103995180) has the molecular formula C10H11N7O2 and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
PubChem CID103995180
Molecular FormulaC10H11N7O2
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one
SMILESCOCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N
InChIInChI=1S/C10H11N7O2/c1-19-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15)
InChIKeySBCIEDIEUZEHIQ-UHFFFAOYSA-N
XLogP-0.44
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The IUPAC name of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one (CID 103995180) is 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one is COCc1[nH]n(-c2ncnc3nc[nH]c23)c(=O)c1N.
What is the InChIKey of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
The InChIKey is SBCIEDIEUZEHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2/c1-19-2-5-6(11)10(18)17(16-5)9-7-8(13-3-12-7)14-4-15-9/h3-4,16H,2,11H2,1H3,(H,12,13,14,15).
What are the key properties of 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one?
4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one has a molecular weight of 261.25 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(methoxymethyl)-2-(7H-purin-6-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 103995180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).