(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

C12H18N4O2 — CID 107219635

IUPAC(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCCC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C12H18N4O2/c1-2-12(18)5-16(6-12)11(17)9-3-8-10(4-13-9)15-7-14-8/h7,9,13,18H,2-6H2,1H3,(H,14,15)
InChIKeyROPUVSCKXSPRTR-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.59
Rot. Bonds2

About (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone

(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (PubChem CID 107219635) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
PubChem CID107219635
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone
SMILESCCC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1
InChIInChI=1S/C12H18N4O2/c1-2-12(18)5-16(6-12)11(17)9-3-8-10(4-13-9)15-7-14-8/h7,9,13,18H,2-6H2,1H3,(H,14,15)
InChIKeyROPUVSCKXSPRTR-UHFFFAOYSA-N
XLogP-0.59
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The IUPAC name of (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone (CID 107219635) is (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone.
What is the SMILES notation for (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The canonical SMILES for (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is CCC1(O)CN(C(=O)C2Cc3nc[nH]c3CN2)C1.
What is the InChIKey of (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
The InChIKey is ROPUVSCKXSPRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-12(18)5-16(6-12)11(17)9-3-8-10(4-13-9)15-7-14-8/h7,9,13,18H,2-6H2,1H3,(H,14,15).
What are the key properties of (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone?
(3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of -0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3-hydroxyazetidin-1-yl)-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)methanone is sourced from PubChem (CID 107219635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).