5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H12N6 — CID 169237598

IUPAC5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1ccn2nc(-c3nccn3C)nc(N)c12
InChIInChI=1S/C11H12N6/c1-7-3-5-17-8(7)9(12)14-10(15-17)11-13-4-6-16(11)2/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyQYTMKOOPEUWTEU-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.02
Rot. Bonds1

About 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169237598) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID169237598
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1ccn2nc(-c3nccn3C)nc(N)c12
InChIInChI=1S/C11H12N6/c1-7-3-5-17-8(7)9(12)14-10(15-17)11-13-4-6-16(11)2/h3-6H,1-2H3,(H2,12,14,15)
InChIKeyQYTMKOOPEUWTEU-UHFFFAOYSA-N
XLogP1.02
TPSA74.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-2-(1-methylimidazol-2-yl)-6-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 176718574
5-methyl-2-(1-methylimidazol-2-yl)-6-(1-methylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;hydrochloride
CID 176718570
6-(3-methoxycyclobutyl)-2-(1-methylimidazol-2-yl)-5-pyridin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 175943436
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
5-methyl-2-(1-methylimidazol-2-yl)-1,3-thiazol-4-amine
CID 83108379
3-methyl-5-(1-methylimidazol-2-yl)pyridin-2-amine
CID 83171112
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
4-(bromomethyl)-2-(1-methylimidazol-2-yl)pyrimidine
CID 130483383
4-chloro-2-(1-methylimidazol-2-yl)-5-phenyl-6-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazine
CID 169237590
4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane
CID 169238010
5-methyl-4-(1-methylimidazol-2-yl)-1,3-thiazol-2-amine
CID 82106394
2-(2-chloro-6-methylphenyl)-1-methylimidazole
CID 90892934

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 169237598) is 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1ccn2nc(-c3nccn3C)nc(N)c12.
What is the InChIKey of 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is QYTMKOOPEUWTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-7-3-5-17-8(7)9(12)14-10(15-17)11-13-4-6-16(11)2/h3-6H,1-2H3,(H2,12,14,15).
What are the key properties of 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 228.26 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169237598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).