[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol

C10H19N3O2 — CID 112605944

IUPAC[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1COC(C)C
InChIInChI=1S/C10H19N3O2/c1-4-5-13-9(6-14)11-12-10(13)7-15-8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyLRANXHQAGLKUNN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.11
Rot. Bonds6

About [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol

[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol (PubChem CID 112605944) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
PubChem CID112605944
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
SMILESCCCn1c(CO)nnc1COC(C)C
InChIInChI=1S/C10H19N3O2/c1-4-5-13-9(6-14)11-12-10(13)7-15-8(2)3/h8,14H,4-7H2,1-3H3
InChIKeyLRANXHQAGLKUNN-UHFFFAOYSA-N
XLogP1.11
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-ethyl-5-(propan-2-yloxymethyl)-1,2,4-triazol-3-yl]methanol
CID 112605942
[5-(propoxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 107944033
(5-butan-2-yl-4-propyl-1,2,4-triazol-3-yl)methanol
CID 115396823
3-(propan-2-yloxymethyl)-4-propyl-1H-1,2,4-triazole-5-thione
CID 112602985
[5-(2,2-dimethylpropyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396881
[5-(ethoxymethyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]methanol
CID 115397142
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
CID 112605961
[5-[(4-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301704
[5-[(2-methylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 113301706
[5-(4-methylphenyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396895
[5-[(2,5-dimethylphenyl)methyl]-4-propyl-1,2,4-triazol-3-yl]methanol
CID 115396870
[5-(2,4-dimethylpentan-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
CID 114282373

Frequently Asked Questions

What is the IUPAC name of [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol (CID 112605944) is [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol is CCCn1c(CO)nnc1COC(C)C.
What is the InChIKey of [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is LRANXHQAGLKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-5-13-9(6-14)11-12-10(13)7-15-8(2)3/h8,14H,4-7H2,1-3H3.
What are the key properties of [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol?
[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 213.28 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 112605944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).