[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol

C16H20N4O2 — CID 75476680

IUPAC[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2nnc(C3CC3)n2C2CC2)c(CO)n1
InChIInChI=1S/C16H20N4O2/c1-10-2-7-14(13(8-21)17-10)22-9-15-18-19-16(11-3-4-11)20(15)12-5-6-12/h2,7,11-12,21H,3-6,8-9H2,1H3
InChIKeyYVYHPCIBCXQHCB-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.27
Rot. Bonds6

About [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol

[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol (PubChem CID 75476680) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol
PubChem CID75476680
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2nnc(C3CC3)n2C2CC2)c(CO)n1
InChIInChI=1S/C16H20N4O2/c1-10-2-7-14(13(8-21)17-10)22-9-15-18-19-16(11-3-4-11)20(15)12-5-6-12/h2,7,11-12,21H,3-6,8-9H2,1H3
InChIKeyYVYHPCIBCXQHCB-UHFFFAOYSA-N
XLogP2.27
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol (CID 75476680) is [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol is Cc1ccc(OCc2nnc(C3CC3)n2C2CC2)c(CO)n1.
What is the InChIKey of [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
The InChIKey is YVYHPCIBCXQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-2-7-14(13(8-21)17-10)22-9-15-18-19-16(11-3-4-11)20(15)12-5-6-12/h2,7,11-12,21H,3-6,8-9H2,1H3.
What are the key properties of [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol?
[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol has a molecular weight of 300.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methoxy]-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 75476680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).