N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine

C10H17FN4O2 — CID 154785399

IUPACN-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCOCC(F)CNc1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C10H17FN4O2/c1-16-6-8(11)4-12-10-13-9(14-15-10)7-2-3-17-5-7/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyXOXMEXADTXUITP-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.70
Rot. Bonds6

About N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine

N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 154785399) has the molecular formula C10H17FN4O2 and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
PubChem CID154785399
Molecular FormulaC10H17FN4O2
Molecular Weight244.27 g/mol
Exact Mass244.13
IUPAC NameN-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
SMILESCOCC(F)CNc1n[nH]c(C2CCOC2)n1
InChIInChI=1S/C10H17FN4O2/c1-16-6-8(11)4-12-10-13-9(14-15-10)7-2-3-17-5-7/h7-8H,2-6H2,1H3,(H2,12,13,14,15)
InChIKeyXOXMEXADTXUITP-UHFFFAOYSA-N
XLogP0.70
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(oxolan-3-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 65329448
5-cyclobutyl-N-(4,4,4-trifluoro-3-methoxybutyl)-1H-1,2,4-triazol-3-amine
CID 139017942
5-(oxolan-3-yl)-N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-amine
CID 167818037
5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine
CID 61278114
5-ethyl-3-(oxolan-3-yl)-1H-1,2,4-triazole
CID 61279352
3-(oxolan-3-yl)-5-propyl-1H-1,2,4-triazole
CID 61337906
5-(oxolan-3-yl)-3-propan-2-yl-1H-1,2,4-triazole
CID 61348808
N-(oxolan-3-ylmethyl)-2-(1H-1,2,4-triazol-5-yl)ethanamine
CID 64547152
N-(oxolan-3-ylmethyl)-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64548619
1-[5-(oxolan-3-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65329449
2-[5-(oxolan-3-yl)-4H-1,2,4-triazol-3-yl]ethan-1-amine
CID 65329450
3-(5-(Tetrahydrofuran-3-yl)-4h-1,2,4-triazol-3-yl)propan-1-amine
CID 65329502

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine (CID 154785399) is N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine is COCC(F)CNc1n[nH]c(C2CCOC2)n1.
What is the InChIKey of N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is XOXMEXADTXUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O2/c1-16-6-8(11)4-12-10-13-9(14-15-10)7-2-3-17-5-7/h7-8H,2-6H2,1H3,(H2,12,13,14,15).
What are the key properties of N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine?
N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 244.27 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-methoxypropyl)-5-(oxolan-3-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 154785399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).