5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine

C8H14N4 — CID 142625789

IUPAC5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine
SMILESNC1=NCN(N)C2=C1CCCC2
InChIInChI=1S/C8H14N4/c9-8-6-3-1-2-4-7(6)12(10)5-11-8/h1-5,10H2,(H2,9,11)
InChIKeyXKRGORDRPMKNFZ-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.32
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine

5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine (PubChem CID 142625789) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine
PubChem CID142625789
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine
SMILESNC1=NCN(N)C2=C1CCCC2
InChIInChI=1S/C8H14N4/c9-8-6-3-1-2-4-7(6)12(10)5-11-8/h1-5,10H2,(H2,9,11)
InChIKeyXKRGORDRPMKNFZ-UHFFFAOYSA-N
XLogP0.32
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

1,4-Diamino-5,6,7,8-tetrahydroquinazoline-2-thione
CID 10262099
1,2,5,6,7,8-Hexahydroquinazoline-2,4-diamine
CID 141687374
5,6,7,8-tetrahydro-2H-quinazoline-1,2-diamine
CID 142625785
1-methyl-5,6,7,8-tetrahydro-2H-quinazolin-4-amine
CID 142625788
5,6,7,8-tetrahydro-2H-quinazolin-1-amine
CID 150420000

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine?
The IUPAC name of 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine (CID 142625789) is 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine is NC1=NCN(N)C2=C1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine?
The InChIKey is XKRGORDRPMKNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c9-8-6-3-1-2-4-7(6)12(10)5-11-8/h1-5,10H2,(H2,9,11).
What are the key properties of 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine?
5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-quinazoline-1,4-diamine is sourced from PubChem (CID 142625789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).