1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine

C6H8N4 — CID 123324427

IUPAC1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2c1C=NCN2
InChIInChI=1S/C6H8N4/c1-10-6-3-7-4-8-5(6)2-9-10/h2-3,8H,4H2,1H3
InChIKeyRMVKDQDTJVGFAU-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.22
Rot. Bonds

About 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine

1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine (PubChem CID 123324427) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine
PubChem CID123324427
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine
SMILESCn1ncc2c1C=NCN2
InChIInChI=1S/C6H8N4/c1-10-6-3-7-4-8-5(6)2-9-10/h2-3,8H,4H2,1H3
InChIKeyRMVKDQDTJVGFAU-UHFFFAOYSA-N
XLogP0.22
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine;hydrochloride
CID 131668643
1-methyl-6,7-dihydropyrazolo[5,4-b]pyridine
CID 143402530
1,5-dimethyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 163838264
7-methyl-3,4-dihydro-2H-pyridazino[4,5-b][1,4]oxazin-8-one
CID 12745134
1,8-dimethyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 135736035
7-chloro-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 136817262
CID 142582492
CID 142582492
3,6-dimethyl-4,5-dihydropyrazolo[4,5-e]indazole
CID 14128508
1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b][1,4]oxazine
CID 137226289
1-methyl-5,7-dihydro-4H-pyrazolo[4,5-c]pyridin-6-one
CID 130251334
1-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[5,4-e][1,4]diazepine
CID 136965948
7-methoxy-1-methyl-5,10-dihydro-4H-pyrazolo[4,5-c][1,5]benzodiazepine
CID 136817259

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine?
The IUPAC name of 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine (CID 123324427) is 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine is Cn1ncc2c1C=NCN2.
What is the InChIKey of 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine?
The InChIKey is RMVKDQDTJVGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-10-6-3-7-4-8-5(6)2-9-10/h2-3,8H,4H2,1H3.
What are the key properties of 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine?
1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine has a molecular weight of 136.16 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-dihydropyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 123324427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).