3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium

C9H14N5+ — CID 18726714

IUPAC3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium
SMILESCCC1=NN=C(c2ccnn2C)[NH+]1C
InChIInChI=1S/C9H13N5/c1-4-8-11-12-9(13(8)2)7-5-6-10-14(7)3/h5-6H,4H2,1-3H3/p+1
InChIKeyDTLANYWMHCYNTH-UHFFFAOYSA-O
MW192.25 g/mol
LogP-0.58
Rot. Bonds2

About 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium

3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium (PubChem CID 18726714) has the molecular formula C9H14N5+ and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium.

Molecular Properties

Compound Name3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium
PubChem CID18726714
Molecular FormulaC9H14N5+
Molecular Weight192.25 g/mol
Exact Mass192.12
IUPAC Name3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium
SMILESCCC1=NN=C(c2ccnn2C)[NH+]1C
InChIInChI=1S/C9H13N5/c1-4-8-11-12-9(13(8)2)7-5-6-10-14(7)3/h5-6H,4H2,1-3H3/p+1
InChIKeyDTLANYWMHCYNTH-UHFFFAOYSA-O
XLogP-0.58
TPSA46.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7019421
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1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
1-Methyl-5-[(methylamino)methyl]pyrazole
CID 7019426
(1-propyl-1H-pyrazol-5-yl)methanamine
CID 19576790
[1-(propan-2-yl)-1H-pyrazol-5-yl]methanamine
CID 23005976

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium?
The IUPAC name of 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium (CID 18726714) is 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium.
What is the SMILES notation for 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium?
The canonical SMILES for 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium is CCC1=NN=C(c2ccnn2C)[NH+]1C.
What is the InChIKey of 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium?
The InChIKey is DTLANYWMHCYNTH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N5/c1-4-8-11-12-9(13(8)2)7-5-6-10-14(7)3/h5-6H,4H2,1-3H3/p+1.
What are the key properties of 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium?
3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium has a molecular weight of 192.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methyl-5-(2-methylpyrazol-3-yl)-4H-1,2,4-triazol-4-ium is sourced from PubChem (CID 18726714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).