5,6,7,8-tetrahydroquinazolin-2-ylcyanamide

C9H10N4 — CID 56921682

IUPAC5,6,7,8-tetrahydroquinazolin-2-ylcyanamide
SMILESN#CNc1ncc2c(n1)CCCC2
InChIInChI=1S/C9H10N4/c10-6-12-9-11-5-7-3-1-2-4-8(7)13-9/h5H,1-4H2,(H,11,12,13)
InChIKeyCXWNEZRQOGBDEF-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.25
Rot. Bonds1

About 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide

5,6,7,8-tetrahydroquinazolin-2-ylcyanamide (PubChem CID 56921682) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazolin-2-ylcyanamide
PubChem CID56921682
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name5,6,7,8-tetrahydroquinazolin-2-ylcyanamide
SMILESN#CNc1ncc2c(n1)CCCC2
InChIInChI=1S/C9H10N4/c10-6-12-9-11-5-7-3-1-2-4-8(7)13-9/h5H,1-4H2,(H,11,12,13)
InChIKeyCXWNEZRQOGBDEF-UHFFFAOYSA-N
XLogP1.25
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide?
The IUPAC name of 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide (CID 56921682) is 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide?
The canonical SMILES for 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide is N#CNc1ncc2c(n1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide?
The InChIKey is CXWNEZRQOGBDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-6-12-9-11-5-7-3-1-2-4-8(7)13-9/h5H,1-4H2,(H,11,12,13).
What are the key properties of 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide?
5,6,7,8-tetrahydroquinazolin-2-ylcyanamide has a molecular weight of 174.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazolin-2-ylcyanamide is sourced from PubChem (CID 56921682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).