3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole

C9H17N3O — CID 112605961

IUPAC3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1COC(C)C
InChIInChI=1S/C9H17N3O/c1-4-5-12-7-10-11-9(12)6-13-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyRYNCGLRMOAMACA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.61
Rot. Bonds5

About 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole

3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole (PubChem CID 112605961) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
PubChem CID112605961
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole
SMILESCCCn1cnnc1COC(C)C
InChIInChI=1S/C9H17N3O/c1-4-5-12-7-10-11-9(12)6-13-8(2)3/h7-8H,4-6H2,1-3H3
InChIKeyRYNCGLRMOAMACA-UHFFFAOYSA-N
XLogP1.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-propyl-1,2,4-triazol-3-yl)methyl]butan-2-amine
CID 62694664
2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160297
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
1-(4-propyl-1,2,4-triazol-3-yl)ethanamine;dihydrochloride
CID 47000737
N-propan-2-yl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62694659
3-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,2,4-triazole
CID 103213666
3-(methylsulfonylmethyl)-4-propyl-1,2,4-triazole
CID 115395149
(4-propyl-1,2,4-triazol-3-yl)methyl 3-methyl-1,2-thiazole-4-carboxylate
CID 75453232
[5-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazol-3-yl]methanol
CID 112605944
4-propyl-3-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 115395118
N-methyl-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62692198
2-methyl-4-(4-propyl-1,2,4-triazol-3-yl)butan-2-amine
CID 62694477

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole?
The IUPAC name of 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole (CID 112605961) is 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole is CCCn1cnnc1COC(C)C.
What is the InChIKey of 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole?
The InChIKey is RYNCGLRMOAMACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-5-12-7-10-11-9(12)6-13-8(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole?
3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole has a molecular weight of 183.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-yloxymethyl)-4-propyl-1,2,4-triazole is sourced from PubChem (CID 112605961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).