N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine

C10H18N4O — CID 156563763

IUPACN-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cn2cncn2)COC1
InChIInChI=1S/C10H18N4O/c1-9(2)12-3-10(5-15-6-10)4-14-8-11-7-13-14/h7-9,12H,3-6H2,1-2H3
InChIKeyQDDRAPNUZREIJW-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.29
Rot. Bonds5

About N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine

N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine (PubChem CID 156563763) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine
PubChem CID156563763
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cn2cncn2)COC1
InChIInChI=1S/C10H18N4O/c1-9(2)12-3-10(5-15-6-10)4-14-8-11-7-13-14/h7-9,12H,3-6H2,1-2H3
InChIKeyQDDRAPNUZREIJW-UHFFFAOYSA-N
XLogP0.29
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine (CID 156563763) is N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cn2cncn2)COC1.
What is the InChIKey of N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine?
The InChIKey is QDDRAPNUZREIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-9(2)12-3-10(5-15-6-10)4-14-8-11-7-13-14/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine?
N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine has a molecular weight of 210.28 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,2,4-triazol-1-ylmethyl)oxetan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 156563763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).