[6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol

C13H16N4O — CID 138023124

IUPAC[6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol
SMILESOCc1ccc(NCc2nccn2C2CC2)nc1
InChIInChI=1S/C13H16N4O/c18-9-10-1-4-12(15-7-10)16-8-13-14-5-6-17(13)11-2-3-11/h1,4-7,11,18H,2-3,8-9H2,(H,15,16)
InChIKeyRDHYMZRXCLEMTL-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.72
Rot. Bonds5

About [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol

[6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol (PubChem CID 138023124) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol
PubChem CID138023124
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name[6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol
SMILESOCc1ccc(NCc2nccn2C2CC2)nc1
InChIInChI=1S/C13H16N4O/c18-9-10-1-4-12(15-7-10)16-8-13-14-5-6-17(13)11-2-3-11/h1,4-7,11,18H,2-3,8-9H2,(H,15,16)
InChIKeyRDHYMZRXCLEMTL-UHFFFAOYSA-N
XLogP1.72
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol?
The IUPAC name of [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol (CID 138023124) is [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol.
What is the SMILES notation for [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol?
The canonical SMILES for [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol is OCc1ccc(NCc2nccn2C2CC2)nc1.
What is the InChIKey of [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol?
The InChIKey is RDHYMZRXCLEMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-9-10-1-4-12(15-7-10)16-8-13-14-5-6-17(13)11-2-3-11/h1,4-7,11,18H,2-3,8-9H2,(H,15,16).
What are the key properties of [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol?
[6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol has a molecular weight of 244.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1-cyclopropylimidazol-2-yl)methylamino]-3-pyridinyl]methanol is sourced from PubChem (CID 138023124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).