N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine

C10H15N3 — CID 62009294

IUPACN-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2ncncc21
InChIInChI=1S/C10H15N3/c1-2-12-9-4-3-5-10-8(9)6-11-7-13-10/h6-7,9,12H,2-5H2,1H3
InChIKeyVYCHQBFBHDONJR-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.46
Rot. Bonds2

About N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine

N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62009294) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62009294
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2ncncc21
InChIInChI=1S/C10H15N3/c1-2-12-9-4-3-5-10-8(9)6-11-7-13-10/h6-7,9,12H,2-5H2,1H3
InChIKeyVYCHQBFBHDONJR-UHFFFAOYSA-N
XLogP1.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62009294) is N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2ncncc21.
What is the InChIKey of N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is VYCHQBFBHDONJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-12-9-4-3-5-10-8(9)6-11-7-13-10/h6-7,9,12H,2-5H2,1H3.
What are the key properties of N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine?
N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 177.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62009294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).