2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine

C12H15N5S — CID 141335513

IUPAC2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine
SMILESCSc1ncc2c(n1)-c1c(cnn1CCN)CC2
InChIInChI=1S/C12H15N5S/c1-18-12-14-6-8-2-3-9-7-15-17(5-4-13)11(9)10(8)16-12/h6-7H,2-5,13H2,1H3
InChIKeyNOSQBLALLMTTMH-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.12
Rot. Bonds3

About 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine

2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine (PubChem CID 141335513) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine
PubChem CID141335513
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine
SMILESCSc1ncc2c(n1)-c1c(cnn1CCN)CC2
InChIInChI=1S/C12H15N5S/c1-18-12-14-6-8-2-3-9-7-15-17(5-4-13)11(9)10(8)16-12/h6-7H,2-5,13H2,1H3
InChIKeyNOSQBLALLMTTMH-UHFFFAOYSA-N
XLogP1.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloroethyl)-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 57388810
1-[3-(dimethylamino)propyl]-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 57388887
1-tert-butyl-8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylic acid
CID 141335515
2-(4,5-dihydrothieno[2,3-g]indazol-1-yl)ethanamine;hydrochloride
CID 21196780
2-(4,5-dihydrofuro[2,3-g]indazol-1-yl)ethanamine;hydrochloride
CID 21196726
1-(2-fluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540326
1-methyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-amine
CID 167015903
1-cyclopentyl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine
CID 142345879
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911993
1-(2-aminoethyl)-8-methylsulfanylpyrazolo[4,5-h]quinazoline-3-carboxamide
CID 57389556
2-(4-chloro-2-methylsulfanylpyrimidin-5-yl)ethanamine
CID 83852150
N-methyl-1-(2-methylsulfanyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-7-yl)methanamine
CID 83884700

Frequently Asked Questions

What is the IUPAC name of 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine?
The IUPAC name of 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine (CID 141335513) is 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine.
What is the SMILES notation for 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine?
The canonical SMILES for 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine is CSc1ncc2c(n1)-c1c(cnn1CCN)CC2.
What is the InChIKey of 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine?
The InChIKey is NOSQBLALLMTTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-18-12-14-6-8-2-3-9-7-15-17(5-4-13)11(9)10(8)16-12/h6-7H,2-5,13H2,1H3.
What are the key properties of 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine?
2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine has a molecular weight of 261.35 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylsulfanyl-4,5-dihydropyrazolo[4,5-h]quinazolin-1-yl)ethanamine is sourced from PubChem (CID 141335513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).