6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol

C11H15N5O — CID 113373334

IUPAC6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol
SMILESCCn1cnnc1CNCc1ccc(O)cn1
InChIInChI=1S/C11H15N5O/c1-2-16-8-14-15-11(16)7-12-5-9-3-4-10(17)6-13-9/h3-4,6,8,12,17H,2,5,7H2,1H3
InChIKeyBDKCHRHWSBSMDA-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.69
Rot. Bonds5

About 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol

6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol (PubChem CID 113373334) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol
PubChem CID113373334
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol
SMILESCCn1cnnc1CNCc1ccc(O)cn1
InChIInChI=1S/C11H15N5O/c1-2-16-8-14-15-11(16)7-12-5-9-3-4-10(17)6-13-9/h3-4,6,8,12,17H,2,5,7H2,1H3
InChIKeyBDKCHRHWSBSMDA-UHFFFAOYSA-N
XLogP0.69
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol (CID 113373334) is 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol is CCn1cnnc1CNCc1ccc(O)cn1.
What is the InChIKey of 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol?
The InChIKey is BDKCHRHWSBSMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-16-8-14-15-11(16)7-12-5-9-3-4-10(17)6-13-9/h3-4,6,8,12,17H,2,5,7H2,1H3.
What are the key properties of 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol?
6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol has a molecular weight of 233.28 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 113373334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).