9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

C11H13N3 — CID 145096689

IUPAC9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCc1c2c(nc3ccnn13)CCCC2
InChIInChI=1S/C11H13N3/c1-8-9-4-2-3-5-10(9)13-11-6-7-12-14(8)11/h6-7H,2-5H2,1H3
InChIKeyIUAKYLPQZNIHLD-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.92
Rot. Bonds

About 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline

9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (PubChem CID 145096689) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.

Molecular Properties

Compound Name9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
PubChem CID145096689
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline
SMILESCc1c2c(nc3ccnn13)CCCC2
InChIInChI=1S/C11H13N3/c1-8-9-4-2-3-5-10(9)13-11-6-7-12-14(8)11/h6-7H,2-5H2,1H3
InChIKeyIUAKYLPQZNIHLD-UHFFFAOYSA-N
XLogP1.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylmethoxyphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 69255282
8-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 58587708
N-(2-methoxyethyl)-3-[3-(2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-yl)phenoxy]propan-1-amine
CID 11682662
tris(3-hydroxy-4-methyl-5,6,7,8-tetrahydroquinazolin-2-one);iron(3+)
CID 71468617
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-amine
CID 82506740
N-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 167973314
5-chloro-6-(3-chloropropyl)-7-methylpyrazolo[1,5-a]pyrimidine
CID 178129789
2-methyl-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-11-carbaldehyde
CID 22224520
11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 3613608
2-chloro-11-(4-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene
CID 82269902
N-(cyclohexen-1-ylmethyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 162628047
2-(2-ethylpyrazol-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114557339

Frequently Asked Questions

What is the IUPAC name of 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The IUPAC name of 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline (CID 145096689) is 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline.
What is the SMILES notation for 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The canonical SMILES for 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is Cc1c2c(nc3ccnn13)CCCC2.
What is the InChIKey of 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
The InChIKey is IUAKYLPQZNIHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-9-4-2-3-5-10(9)13-11-6-7-12-14(8)11/h6-7H,2-5H2,1H3.
What are the key properties of 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline?
9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline has a molecular weight of 187.25 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline is sourced from PubChem (CID 145096689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).