3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole

C10H17N3O — CID 115393989

IUPAC3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1CC1CCCO1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-11-12-10(13)6-9-4-3-5-14-9/h7-9H,3-6H2,1-2H3
InChIKeyQIQHFDUBPWPBDG-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.58
Rot. Bonds3

About 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole

3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole (PubChem CID 115393989) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
PubChem CID115393989
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnnc1CC1CCCO1
InChIInChI=1S/C10H17N3O/c1-8(2)13-7-11-12-10(13)6-9-4-3-5-14-9/h7-9H,3-6H2,1-2H3
InChIKeyQIQHFDUBPWPBDG-UHFFFAOYSA-N
XLogP1.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropyl)-3-(oxolan-2-ylmethyl)-1,2,4-triazole
CID 115395688
3-(oxolan-2-yl)-4-propan-2-yl-1,2,4-triazole
CID 115393838
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
1-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]urea
CID 97446058
2-[[5-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 113300628
4-(2-methylpropyl)-5-(oxolan-2-ylmethyl)-1,2,4-triazole-3-sulfonamide
CID 113366525
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95129786
1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 64672298
3-[2-(oxolan-2-yl)ethyl]-4-phenyl-1,2,4-triazole
CID 115393361
4-methyl-3-(oxiran-2-ylmethyl)-1,2,4-triazole
CID 131043364

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole (CID 115393989) is 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole is CC(C)n1cnnc1CC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole?
The InChIKey is QIQHFDUBPWPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(2)13-7-11-12-10(13)6-9-4-3-5-14-9/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole?
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 115393989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).