4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate

C10H11N5O — CID 135762543

IUPAC4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate
SMILESNc1nc(N)c2c(ccc3nccc32)[nH]1.O
InChIInChI=1S/C10H9N5.H2O/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9;/h1-4H,11H2,(H3,12,14,15);1H2
InChIKeyHDKNTQZGFXELDJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.45
Rot. Bonds

About 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate

4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate (PubChem CID 135762543) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate.

Molecular Properties

Compound Name4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate
PubChem CID135762543
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate
SMILESNc1nc(N)c2c(ccc3nccc32)[nH]1.O
InChIInChI=1S/C10H9N5.H2O/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9;/h1-4H,11H2,(H3,12,14,15);1H2
InChIKeyHDKNTQZGFXELDJ-UHFFFAOYSA-N
XLogP0.45
TPSA125.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate?
The IUPAC name of 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate (CID 135762543) is 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate.
What is the SMILES notation for 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate?
The canonical SMILES for 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate is Nc1nc(N)c2c(ccc3nccc32)[nH]1.O.
What is the InChIKey of 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate?
The InChIKey is HDKNTQZGFXELDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5.H2O/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9;/h1-4H,11H2,(H3,12,14,15);1H2.
What are the key properties of 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate?
4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate has a molecular weight of 217.23 g/mol, XLogP of 0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrrolo[3,2-f]quinazoline-1,3-diamine;hydrate is sourced from PubChem (CID 135762543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).