7H-pyrazolo[5,4-h]quinazoline-2,4-diamine

C9H8N6 — CID 166549487

IUPAC7H-pyrazolo[5,4-h]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc3[nH]ncc3c2n1
InChIInChI=1S/C9H8N6/c10-8-4-1-2-6-5(3-12-15-6)7(4)13-9(11)14-8/h1-3H,(H,12,15)(H4,10,11,13,14)
InChIKeyCWSSSBSTAIYHTN-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.67
Rot. Bonds

About 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine

7H-pyrazolo[5,4-h]quinazoline-2,4-diamine (PubChem CID 166549487) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine.

Molecular Properties

Compound Name7H-pyrazolo[5,4-h]quinazoline-2,4-diamine
PubChem CID166549487
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name7H-pyrazolo[5,4-h]quinazoline-2,4-diamine
SMILESNc1nc(N)c2ccc3[nH]ncc3c2n1
InChIInChI=1S/C9H8N6/c10-8-4-1-2-6-5(3-12-15-6)7(4)13-9(11)14-8/h1-3H,(H,12,15)(H4,10,11,13,14)
InChIKeyCWSSSBSTAIYHTN-UHFFFAOYSA-N
XLogP0.67
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine?
The IUPAC name of 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine (CID 166549487) is 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine.
What is the SMILES notation for 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine?
The canonical SMILES for 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine is Nc1nc(N)c2ccc3[nH]ncc3c2n1.
What is the InChIKey of 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine?
The InChIKey is CWSSSBSTAIYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c10-8-4-1-2-6-5(3-12-15-6)7(4)13-9(11)14-8/h1-3H,(H,12,15)(H4,10,11,13,14).
What are the key properties of 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine?
7H-pyrazolo[5,4-h]quinazoline-2,4-diamine has a molecular weight of 200.21 g/mol, XLogP of 0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrazolo[5,4-h]quinazoline-2,4-diamine is sourced from PubChem (CID 166549487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).