4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline

C9H8N4 — CID 57459920

IUPAC4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline
SMILESc1ncc2c(n1)-c1[nH]ncc1CC2
InChIInChI=1S/C9H8N4/c1-2-7-4-12-13-9(7)8-6(1)3-10-5-11-8/h3-5H,1-2H2,(H,12,13)
InChIKeyWWMKILJKQPIYHO-UHFFFAOYSA-N
MW172.19 g/mol
LogP0.97
Rot. Bonds

About 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline

4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline (PubChem CID 57459920) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline.

Molecular Properties

Compound Name4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline
PubChem CID57459920
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline
SMILESc1ncc2c(n1)-c1[nH]ncc1CC2
InChIInChI=1S/C9H8N4/c1-2-7-4-12-13-9(7)8-6(1)3-10-5-11-8/h3-5H,1-2H2,(H,12,13)
InChIKeyWWMKILJKQPIYHO-UHFFFAOYSA-N
XLogP0.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-4,5-dihydro-1H-pyrazolo[4,5-h]quinoline
CID 90191878
5,6-dihydropyrido[3,2-h]quinazoline
CID 15783775
8-methyl-6,7-dihydro-5H-pyrimido[5,4-c]carbazole
CID 71408712
4,5-dihydro-1H-thieno[2,3-g]indazole
CID 13452859
7-bromo-4,5-dihydro-1H-benzo[g]indazole
CID 91620026
3,5,10,12-tetrazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 15155862
7,8-diethyl-4,5-dihydro-1H-benzo[g]indazole
CID 12686517
8-[4-(trifluoromethyl)phenyl]-5,6-dihydropyrido[3,4-d]pyrimidine
CID 25234969
N,N-dimethyl-3,4,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2,5,10,12-pentaene-5-carboxamide
CID 123836513
ethane;N-ethyl-6,7-dihydro-5H-pyrazolo[3,4-h]quinazoline-9-carboxamide;tungsten(2+)
CID 20756903
5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 22707087
4,5-dihydro-1H-benzo[g]indazole-7-carboxylic acid
CID 139432787

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline?
The IUPAC name of 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline (CID 57459920) is 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline.
What is the SMILES notation for 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline?
The canonical SMILES for 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline is c1ncc2c(n1)-c1[nH]ncc1CC2.
What is the InChIKey of 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline?
The InChIKey is WWMKILJKQPIYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-2-7-4-12-13-9(7)8-6(1)3-10-5-11-8/h3-5H,1-2H2,(H,12,13).
What are the key properties of 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline?
4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline has a molecular weight of 172.19 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-pyrazolo[4,5-h]quinazoline is sourced from PubChem (CID 57459920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).