N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide

C10H13N3O — CID 90446607

IUPACN-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide
SMILESCC(=O)NC1CCc2ncncc2C1
InChIInChI=1S/C10H13N3O/c1-7(14)13-9-2-3-10-8(4-9)5-11-6-12-10/h5-6,9H,2-4H2,1H3,(H,13,14)
InChIKeyFUWLSQKRZXOZFV-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.47
Rot. Bonds1

About N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide

N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide (PubChem CID 90446607) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide
PubChem CID90446607
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide
SMILESCC(=O)NC1CCc2ncncc2C1
InChIInChI=1S/C10H13N3O/c1-7(14)13-9-2-3-10-8(4-9)5-11-6-12-10/h5-6,9H,2-4H2,1H3,(H,13,14)
InChIKeyFUWLSQKRZXOZFV-UHFFFAOYSA-N
XLogP0.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide?
The IUPAC name of N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide (CID 90446607) is N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide?
The canonical SMILES for N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide is CC(=O)NC1CCc2ncncc2C1.
What is the InChIKey of N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide?
The InChIKey is FUWLSQKRZXOZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-7(14)13-9-2-3-10-8(4-9)5-11-6-12-10/h5-6,9H,2-4H2,1H3,(H,13,14).
What are the key properties of N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide?
N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide has a molecular weight of 191.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroquinazolin-6-yl)acetamide is sourced from PubChem (CID 90446607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).