5,6,7,8-tetrahydro-2H-quinazolin-1-amine

C8H13N3 — CID 150420000

IUPAC5,6,7,8-tetrahydro-2H-quinazolin-1-amine
SMILESNN1CN=CC2=C1CCCC2
InChIInChI=1S/C8H13N3/c9-11-6-10-5-7-3-1-2-4-8(7)11/h5H,1-4,6,9H2
InChIKeyHHOORXJXYFWUDR-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.03
Rot. Bonds

About 5,6,7,8-tetrahydro-2H-quinazolin-1-amine

5,6,7,8-tetrahydro-2H-quinazolin-1-amine (PubChem CID 150420000) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-2H-quinazolin-1-amine.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-2H-quinazolin-1-amine
PubChem CID150420000
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5,6,7,8-tetrahydro-2H-quinazolin-1-amine
SMILESNN1CN=CC2=C1CCCC2
InChIInChI=1S/C8H13N3/c9-11-6-10-5-7-3-1-2-4-8(7)11/h5H,1-4,6,9H2
InChIKeyHHOORXJXYFWUDR-UHFFFAOYSA-N
XLogP1.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-2H-quinazolin-1-amine?
The IUPAC name of 5,6,7,8-tetrahydro-2H-quinazolin-1-amine (CID 150420000) is 5,6,7,8-tetrahydro-2H-quinazolin-1-amine.
What is the SMILES notation for 5,6,7,8-tetrahydro-2H-quinazolin-1-amine?
The canonical SMILES for 5,6,7,8-tetrahydro-2H-quinazolin-1-amine is NN1CN=CC2=C1CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-2H-quinazolin-1-amine?
The InChIKey is HHOORXJXYFWUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-11-6-10-5-7-3-1-2-4-8(7)11/h5H,1-4,6,9H2.
What are the key properties of 5,6,7,8-tetrahydro-2H-quinazolin-1-amine?
5,6,7,8-tetrahydro-2H-quinazolin-1-amine has a molecular weight of 151.21 g/mol, XLogP of 1.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-2H-quinazolin-1-amine is sourced from PubChem (CID 150420000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).