(3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol

C13H15N3O — CID 113297006

IUPAC(3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cncn2C2CC2)c1
InChIInChI=1S/C13H15N3O/c1-9-4-10(6-14-5-9)13(17)12-7-15-8-16(12)11-2-3-11/h4-8,11,13,17H,2-3H2,1H3
InChIKeyDLCCDLZZOHFXEL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.00
Rot. Bonds3

About (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol

(3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 113297006) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol
PubChem CID113297006
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name(3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2cncn2C2CC2)c1
InChIInChI=1S/C13H15N3O/c1-9-4-10(6-14-5-9)13(17)12-7-15-8-16(12)11-2-3-11/h4-8,11,13,17H,2-3H2,1H3
InChIKeyDLCCDLZZOHFXEL-UHFFFAOYSA-N
XLogP2.00
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol (CID 113297006) is (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)c2cncn2C2CC2)c1.
What is the InChIKey of (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is DLCCDLZZOHFXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9-4-10(6-14-5-9)13(17)12-7-15-8-16(12)11-2-3-11/h4-8,11,13,17H,2-3H2,1H3.
What are the key properties of (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol?
(3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 229.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazol-4-yl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 113297006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).