hydron;quinazolin-4-amine

C8H8N3+ — CID 174478214

IUPAChydron;quinazolin-4-amine
SMILESNc1ncnc2ccccc12.[H+]
InChIInChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)/p+1
InChIKeyDRYRBWIFRVMRPV-UHFFFAOYSA-O
MW146.17 g/mol
LogP1.32
Rot. Bonds

About hydron;quinazolin-4-amine

hydron;quinazolin-4-amine (PubChem CID 174478214) has the molecular formula C8H8N3+ and a molecular weight of 146.17 g/mol. Its IUPAC name is hydron;quinazolin-4-amine.

Molecular Properties

Compound Namehydron;quinazolin-4-amine
PubChem CID174478214
Molecular FormulaC8H8N3+
Molecular Weight146.17 g/mol
Exact Mass146.07
IUPAC Namehydron;quinazolin-4-amine
SMILESNc1ncnc2ccccc12.[H+]
InChIInChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)/p+1
InChIKeyDRYRBWIFRVMRPV-UHFFFAOYSA-O
XLogP1.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of hydron;quinazolin-4-amine?
The IUPAC name of hydron;quinazolin-4-amine (CID 174478214) is hydron;quinazolin-4-amine.
What is the SMILES notation for hydron;quinazolin-4-amine?
The canonical SMILES for hydron;quinazolin-4-amine is Nc1ncnc2ccccc12.[H+].
What is the InChIKey of hydron;quinazolin-4-amine?
The InChIKey is DRYRBWIFRVMRPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H7N3/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H2,9,10,11)/p+1.
What are the key properties of hydron;quinazolin-4-amine?
hydron;quinazolin-4-amine has a molecular weight of 146.17 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;quinazolin-4-amine is sourced from PubChem (CID 174478214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).