3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine

C10H12N8O — CID 175800458

IUPAC3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCc1nc(CNc2nc(N)nc3c(C)[nH]nc23)no1
InChIInChI=1S/C10H12N8O/c1-4-7-8(17-16-4)9(15-10(11)14-7)12-3-6-13-5(2)19-18-6/h3H2,1-2H3,(H,16,17)(H3,11,12,14,15)
InChIKeyLOWKIEJPOAOUKZ-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.55
Rot. Bonds3

About 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine

3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine (PubChem CID 175800458) has the molecular formula C10H12N8O and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
PubChem CID175800458
Molecular FormulaC10H12N8O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine
SMILESCc1nc(CNc2nc(N)nc3c(C)[nH]nc23)no1
InChIInChI=1S/C10H12N8O/c1-4-7-8(17-16-4)9(15-10(11)14-7)12-3-6-13-5(2)19-18-6/h3H2,1-2H3,(H,16,17)(H3,11,12,14,15)
InChIKeyLOWKIEJPOAOUKZ-UHFFFAOYSA-N
XLogP0.55
TPSA131.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The IUPAC name of 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine (CID 175800458) is 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The canonical SMILES for 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine is Cc1nc(CNc2nc(N)nc3c(C)[nH]nc23)no1.
What is the InChIKey of 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
The InChIKey is LOWKIEJPOAOUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N8O/c1-4-7-8(17-16-4)9(15-10(11)14-7)12-3-6-13-5(2)19-18-6/h3H2,1-2H3,(H,16,17)(H3,11,12,14,15).
What are the key properties of 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine?
3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine has a molecular weight of 260.26 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-pyrazolo[4,3-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 175800458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).