8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride

C13H19ClN6O2 — CID 140536461

IUPAC8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride
SMILESCl.NCCCN1NC2=C(CCc3cnc(N)nc32)C1C(=O)O
InChIInChI=1S/C13H18N6O2.ClH/c14-4-1-5-19-11(12(20)21)8-3-2-7-6-16-13(15)17-9(7)10(8)18-19;/h6,11,18H,1-5,14H2,(H,20,21)(H2,15,16,17);1H
InChIKeyATBCVEVUWKEDRH-UHFFFAOYSA-N
MW326.79 g/mol
LogP-0.24
Rot. Bonds4

About 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride

8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride (PubChem CID 140536461) has the molecular formula C13H19ClN6O2 and a molecular weight of 326.79 g/mol. Its IUPAC name is 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride
PubChem CID140536461
Molecular FormulaC13H19ClN6O2
Molecular Weight326.79 g/mol
Exact Mass326.13
IUPAC Name8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride
SMILESCl.NCCCN1NC2=C(CCc3cnc(N)nc32)C1C(=O)O
InChIInChI=1S/C13H18N6O2.ClH/c14-4-1-5-19-11(12(20)21)8-3-2-7-6-16-13(15)17-9(7)10(8)18-19;/h6,11,18H,1-5,14H2,(H,20,21)(H2,15,16,17);1H
InChIKeyATBCVEVUWKEDRH-UHFFFAOYSA-N
XLogP-0.24
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylate
CID 140517908
1-methyl-4,5-dihydroimidazo[4,5-h]quinazolin-8-amine
CID 167015903
2-amino-5,6-dihydrothieno[2,3-h]quinazoline-8-carboxylic acid
CID 163287315
(2-amino-6,9-dihydro-5H-pyrrolo[3,2-h]quinazolin-7-yl) acetate
CID 174691491
8-(2-aminoethyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 83878214
6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine;hydrochloride
CID 166604055
1-cyclopentyl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine
CID 142345879
1-(3-aminopropyl)-5-phenylpyrazolidin-3-one
CID 105474530
3-[8-(4-fluorophenyl)-4,5-dihydropyrazolo[4,3-h]quinazolin-2-yl]propan-1-amine
CID 141335553
1-[1-(3-aminopropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79309694
2-(2-amino-4-phenylpyrimidin-5-yl)acetic acid
CID 123695690
2-(3-aminopropyl)-8-quinolin-3-yl-4,5-dihydropyrazolo[3,4-f]isoquinoline-3-carboxamide;hydrochloride
CID 68979190

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride (CID 140536461) is 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride is Cl.NCCCN1NC2=C(CCc3cnc(N)nc32)C1C(=O)O.
What is the InChIKey of 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride?
The InChIKey is ATBCVEVUWKEDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2.ClH/c14-4-1-5-19-11(12(20)21)8-3-2-7-6-16-13(15)17-9(7)10(8)18-19;/h6,11,18H,1-5,14H2,(H,20,21)(H2,15,16,17);1H.
What are the key properties of 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride?
8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride has a molecular weight of 326.79 g/mol, XLogP of -0.24, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-(3-aminopropyl)-1,3,4,5-tetrahydropyrazolo[4,3-h]quinazoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 140536461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).