5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole

C10H17N3O — CID 57175526

IUPAC5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole
SMILESc1n[nH]c(CCCC2CCCOC2)n1
InChIInChI=1S/C10H17N3O/c1(5-10-11-8-12-13-10)3-9-4-2-6-14-7-9/h8-9H,1-7H2,(H,11,12,13)
InChIKeyWGOHBWLSPNQELC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.55
Rot. Bonds4

About 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole

5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole (PubChem CID 57175526) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole
PubChem CID57175526
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole
SMILESc1n[nH]c(CCCC2CCCOC2)n1
InChIInChI=1S/C10H17N3O/c1(5-10-11-8-12-13-10)3-9-4-2-6-14-7-9/h8-9H,1-7H2,(H,11,12,13)
InChIKeyWGOHBWLSPNQELC-UHFFFAOYSA-N
XLogP1.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(oxan-4-yl)ethyl]-1H-1,2,4-triazole
CID 57093227
5-(oxan-2-ylmethyl)-1H-1,2,4-triazole
CID 70122417
5-(1-oxaspiro[4.5]decan-7-ylmethyl)-1H-1,2,4-triazole
CID 70186275
3-(oxan-4-yl)-1H-1,2,4-triazole
CID 91375415
3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
CID 118564349
5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
CID 118564359
5-[2,2,6,6-tetramethyl-7-(oxolan-2-yl)heptan-3-yl]-1H-1,2,4-triazole
CID 134480995
5-(3-methoxycyclohexyl)-1H-1,2,4-triazole
CID 140427147
5-(oxan-4-ylmethyl)-1H-1,2,4-triazole
CID 141026891
5-[4-(methoxymethyl)octan-3-yl]-1H-1,2,4-triazole
CID 141199487
5-[1-(oxan-4-yl)ethyl]-1H-1,2,4-triazole
CID 141394418
5-(3-methoxy-2-methyloxan-4-yl)-1H-1,2,4-triazole
CID 169098592

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole (CID 57175526) is 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole is c1n[nH]c(CCCC2CCCOC2)n1.
What is the InChIKey of 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole?
The InChIKey is WGOHBWLSPNQELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1(5-10-11-8-12-13-10)3-9-4-2-6-14-7-9/h8-9H,1-7H2,(H,11,12,13).
What are the key properties of 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole?
5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxan-3-yl)propyl]-1H-1,2,4-triazole is sourced from PubChem (CID 57175526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).