N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

C14H24N6O — CID 81332952

IUPACN-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(OCCn2cc(CNCC(C)C)nn2)n(C)n1
InChIInChI=1S/C14H24N6O/c1-11(2)8-15-9-13-10-20(18-16-13)5-6-21-14-7-12(3)17-19(14)4/h7,10-11,15H,5-6,8-9H2,1-4H3
InChIKeyKTTXYUQWMJBKEF-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.14
Rot. Bonds8

About N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81332952) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID81332952
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC NameN-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(OCCn2cc(CNCC(C)C)nn2)n(C)n1
InChIInChI=1S/C14H24N6O/c1-11(2)8-15-9-13-10-20(18-16-13)5-6-21-14-7-12(3)17-19(14)4/h7,10-11,15H,5-6,8-9H2,1-4H3
InChIKeyKTTXYUQWMJBKEF-UHFFFAOYSA-N
XLogP1.14
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine (CID 81332952) is N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is Cc1cc(OCCn2cc(CNCC(C)C)nn2)n(C)n1.
What is the InChIKey of N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is KTTXYUQWMJBKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-11(2)8-15-9-13-10-20(18-16-13)5-6-21-14-7-12(3)17-19(14)4/h7,10-11,15H,5-6,8-9H2,1-4H3.
What are the key properties of N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 1.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81332952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).