2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol

C13H20N6O2 — CID 66269619

IUPAC2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cnn(CC3CCCO3)c2)nn1
InChIInChI=1S/C13H20N6O2/c20-4-3-18-9-12(16-17-18)6-14-11-7-15-19(8-11)10-13-2-1-5-21-13/h7-9,13-14,20H,1-6,10H2
InChIKeyVDZRHUUOXKLNNB-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.26
Rot. Bonds7

About 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol

2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol (PubChem CID 66269619) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
PubChem CID66269619
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol
SMILESOCCn1cc(CNc2cnn(CC3CCCO3)c2)nn1
InChIInChI=1S/C13H20N6O2/c20-4-3-18-9-12(16-17-18)6-14-11-7-15-19(8-11)10-13-2-1-5-21-13/h7-9,13-14,20H,1-6,10H2
InChIKeyVDZRHUUOXKLNNB-UHFFFAOYSA-N
XLogP0.26
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol with MolForge

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Related Compounds

1-(oxolan-2-ylmethyl)-N-(thiadiazol-4-ylmethyl)pyrazol-4-amine
CID 43745591
N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
N-methyl-1-[1-(oxolan-2-ylmethyl)triazol-4-yl]methanamine
CID 66214826
1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66415350
2-bromo-4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]phenol
CID 63046936
N-[[1-(oxan-2-ylmethyl)triazol-4-yl]methyl]ethanamine
CID 66194671
[1-[[(2S)-oxolan-2-yl]methyl]triazol-4-yl]methanamine
CID 94339475
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
[1-[2-(oxolan-2-yl)ethyl]triazol-4-yl]methanol
CID 65166429
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol (CID 66269619) is 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol is OCCn1cc(CNc2cnn(CC3CCCO3)c2)nn1.
What is the InChIKey of 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol?
The InChIKey is VDZRHUUOXKLNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c20-4-3-18-9-12(16-17-18)6-14-11-7-15-19(8-11)10-13-2-1-5-21-13/h7-9,13-14,20H,1-6,10H2.
What are the key properties of 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol?
2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol has a molecular weight of 292.34 g/mol, XLogP of 0.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[1-(oxolan-2-ylmethyl)pyrazol-4-yl]amino]methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).