3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium

C9H14N5+ — CID 18726605

IUPAC3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium
SMILESCC1=NN=C(c2cc(C)n(C)n2)[NH+]1C
InChIInChI=1S/C9H13N5/c1-6-5-8(12-14(6)4)9-11-10-7(2)13(9)3/h5H,1-4H3/p+1
InChIKeyRZYIXXUONIOAIJ-UHFFFAOYSA-O
MW192.25 g/mol
LogP-0.66
Rot. Bonds1

About 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium

3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium (PubChem CID 18726605) has the molecular formula C9H14N5+ and a molecular weight of 192.25 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium
PubChem CID18726605
Molecular FormulaC9H14N5+
Molecular Weight192.25 g/mol
Exact Mass192.12
IUPAC Name3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium
SMILESCC1=NN=C(c2cc(C)n(C)n2)[NH+]1C
InChIInChI=1S/C9H13N5/c1-6-5-8(12-14(6)4)9-11-10-7(2)13(9)3/h5H,1-4H3/p+1
InChIKeyRZYIXXUONIOAIJ-UHFFFAOYSA-O
XLogP-0.66
TPSA46.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium?
The IUPAC name of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium (CID 18726605) is 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium?
The canonical SMILES for 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium is CC1=NN=C(c2cc(C)n(C)n2)[NH+]1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium?
The InChIKey is RZYIXXUONIOAIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N5/c1-6-5-8(12-14(6)4)9-11-10-7(2)13(9)3/h5H,1-4H3/p+1.
What are the key properties of 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium?
3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium has a molecular weight of 192.25 g/mol, XLogP of -0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-3-yl)-4,5-dimethyl-4H-1,2,4-triazol-4-ium is sourced from PubChem (CID 18726605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).