2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid

C10H12F3N5O2 — CID 131731060

IUPAC2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cnn(C)c2)cn1N.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N5.C2HF3O2/c1-6-11-8(5-13(6)9)7-3-10-12(2)4-7;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7)
InChIKeyFAFFGDNIMQMPJL-UHFFFAOYSA-N
MW291.23 g/mol
LogP0.94
Rot. Bonds1

About 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid

2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid (PubChem CID 131731060) has the molecular formula C10H12F3N5O2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid
PubChem CID131731060
Molecular FormulaC10H12F3N5O2
Molecular Weight291.23 g/mol
Exact Mass291.09
IUPAC Name2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid
SMILESCc1nc(-c2cnn(C)c2)cn1N.O=C(O)C(F)(F)F
InChIInChI=1S/C8H11N5.C2HF3O2/c1-6-11-8(5-13(6)9)7-3-10-12(2)4-7;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7)
InChIKeyFAFFGDNIMQMPJL-UHFFFAOYSA-N
XLogP0.94
TPSA98.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid (CID 131731060) is 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid is Cc1nc(-c2cnn(C)c2)cn1N.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid?
The InChIKey is FAFFGDNIMQMPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5.C2HF3O2/c1-6-11-8(5-13(6)9)7-3-10-12(2)4-7;3-2(4,5)1(6)7/h3-5H,9H2,1-2H3;(H,6,7).
What are the key properties of 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid?
2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid has a molecular weight of 291.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-4-yl)imidazol-1-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 131731060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).