[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine

C9H14N6O — CID 81341412

IUPAC[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine
SMILESCc1cc(OCCn2cc(CN)nn2)n[nH]1
InChIInChI=1S/C9H14N6O/c1-7-4-9(13-11-7)16-3-2-15-6-8(5-10)12-14-15/h4,6H,2-3,5,10H2,1H3,(H,11,13)
InChIKeyHIPMXQTYEYYALR-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.15
Rot. Bonds5

About [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine

[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine (PubChem CID 81341412) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine
PubChem CID81341412
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine
SMILESCc1cc(OCCn2cc(CN)nn2)n[nH]1
InChIInChI=1S/C9H14N6O/c1-7-4-9(13-11-7)16-3-2-15-6-8(5-10)12-14-15/h4,6H,2-3,5,10H2,1H3,(H,11,13)
InChIKeyHIPMXQTYEYYALR-UHFFFAOYSA-N
XLogP-0.15
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]oxyethyl]pyrazol-4-amine
CID 117989217
5-ethoxy-3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)oxymethyl]pyrazole
CID 123862740
1-methyl-3-[(1-methyl-1H-pyrazol-5-yl)methoxy]-1H-pyrazol-4-amine
CID 66509591
N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 81332952
N-[[1-[2-(2,5-dimethylpyrazol-3-yl)oxyethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 81333906
N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 81341212
2-methyl-N-[[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 81341312
5-(2,5-Dimethylpyrazol-3-yl)oxy-1-ethyl-3-methylpyrazol-4-amine
CID 81341341
2-methyl-N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]propan-2-amine
CID 81341397
[3-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methanamine
CID 81341455
5-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazine-2-carbothioamide
CID 81341568
N-[[6-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrazin-2-yl]methyl]ethanamine
CID 81341590

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine (CID 81341412) is [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine is Cc1cc(OCCn2cc(CN)nn2)n[nH]1.
What is the InChIKey of [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine?
The InChIKey is HIPMXQTYEYYALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-7-4-9(13-11-7)16-3-2-15-6-8(5-10)12-14-15/h4,6H,2-3,5,10H2,1H3,(H,11,13).
What are the key properties of [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine?
[1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine has a molecular weight of 222.25 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(5-methyl-1H-pyrazol-3-yl)oxy]ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 81341412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).