6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C12H10ClN5O — CID 135484494

IUPAC6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1Cl
InChIInChI=1S/C12H10ClN5O/c1-6-2-3-7(4-9(6)13)15-12-16-10-8(5-14-18-10)11(19)17-12/h2-5H,1H3,(H3,14,15,16,17,18,19)
InChIKeyOCMAUAUZRWZQCV-UHFFFAOYSA-N
MW275.70 g/mol
LogP2.35
Rot. Bonds2

About 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135484494) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135484494
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1Cl
InChIInChI=1S/C12H10ClN5O/c1-6-2-3-7(4-9(6)13)15-12-16-10-8(5-14-18-10)11(19)17-12/h2-5H,1H3,(H3,14,15,16,17,18,19)
InChIKeyOCMAUAUZRWZQCV-UHFFFAOYSA-N
XLogP2.35
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135484494) is 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1Cl.
What is the InChIKey of 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OCMAUAUZRWZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-6-2-3-7(4-9(6)13)15-12-16-10-8(5-14-18-10)11(19)17-12/h2-5H,1H3,(H3,14,15,16,17,18,19).
What are the key properties of 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 275.70 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-methylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135484494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).