molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine

C11H22N4O — CID 156801663

IUPACmolecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine
SMILESCCC(C)NCC1(Cn2cncn2)COC1.[H][H]
InChIInChI=1S/C11H20N4O.H2/c1-3-10(2)13-4-11(6-16-7-11)5-15-9-12-8-14-15;/h8-10,13H,3-7H2,1-2H3;1H
InChIKeyGZFZYHVWZRELBS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.93
Rot. Bonds6

About molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine

molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine (PubChem CID 156801663) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine
PubChem CID156801663
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Namemolecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine
SMILESCCC(C)NCC1(Cn2cncn2)COC1.[H][H]
InChIInChI=1S/C11H20N4O.H2/c1-3-10(2)13-4-11(6-16-7-11)5-15-9-12-8-14-15;/h8-10,13H,3-7H2,1-2H3;1H
InChIKeyGZFZYHVWZRELBS-UHFFFAOYSA-N
XLogP0.93
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine?
The IUPAC name of molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine (CID 156801663) is molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine.
What is the SMILES notation for molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine?
The canonical SMILES for molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine is CCC(C)NCC1(Cn2cncn2)COC1.[H][H].
What is the InChIKey of molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine?
The InChIKey is GZFZYHVWZRELBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O.H2/c1-3-10(2)13-4-11(6-16-7-11)5-15-9-12-8-14-15;/h8-10,13H,3-7H2,1-2H3;1H.
What are the key properties of molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine?
molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine has a molecular weight of 226.32 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 156801663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).