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

C11H15N3O — CID 12973046

IUPACN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide
SMILESCC(=O)NCC1CCc2ncncc2C1
InChIInChI=1S/C11H15N3O/c1-8(15)13-5-9-2-3-11-10(4-9)6-12-7-14-11/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyYVKBSFIVIRPVAQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.72
Rot. Bonds2

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

N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide (PubChem CID 12973046) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide
PubChem CID12973046
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide
SMILESCC(=O)NCC1CCc2ncncc2C1
InChIInChI=1S/C11H15N3O/c1-8(15)13-5-9-2-3-11-10(4-9)6-12-7-14-11/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyYVKBSFIVIRPVAQ-UHFFFAOYSA-N
XLogP0.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.72
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-ylmethyl)acetamide?
The IUPAC name of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide (CID 12973046) is N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide?
The canonical SMILES for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide is CC(=O)NCC1CCc2ncncc2C1.
What is the InChIKey of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide?
The InChIKey is YVKBSFIVIRPVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(15)13-5-9-2-3-11-10(4-9)6-12-7-14-11/h6-7,9H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide?
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 0.72, 2 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-ylmethyl)acetamide is sourced from PubChem (CID 12973046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).