5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C11H16N4 — CID 178092801

IUPAC5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(C)c2c(N)ncnn2c1C(C)C
InChIInChI=1S/C11H16N4/c1-6(2)9-7(3)8(4)10-11(12)13-5-14-15(9)10/h5-6H,1-4H3,(H2,12,13,14)
InChIKeyWTMNEGMPRPUJMW-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.05
Rot. Bonds1

About 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 178092801) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID178092801
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(C)c2c(N)ncnn2c1C(C)C
InChIInChI=1S/C11H16N4/c1-6(2)9-7(3)8(4)10-11(12)13-5-14-15(9)10/h5-6H,1-4H3,(H2,12,13,14)
InChIKeyWTMNEGMPRPUJMW-UHFFFAOYSA-N
XLogP2.05
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(4-amino-5-bromopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 124674969
7-bromo-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 145068521
5-ethyl-7-methylimidazo[5,1-f][1,2,4]triazin-4-amine
CID 89393083
5-bromo-6-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 163376472
1,3,5,6-tetramethyl-7-propan-2-ylpyrrolo[1,2-c]pyrimidin-4-amine
CID 158891597
ethane;7-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 145368095
1-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)ethanol
CID 90397339
6-bromo-7-methyl-5-pyrimidin-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethane
CID 171535817
5,7-dibromo-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 154663448
5-methyl-6-[(2S)-2-pyrrolidin-1-ylpropoxy]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164943142
methane;7-propan-2-ylpurin-6-amine
CID 161152201
1-(6-aminopurin-7-yl)ethanol
CID 69202228

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 178092801) is 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(C)c2c(N)ncnn2c1C(C)C.
What is the InChIKey of 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is WTMNEGMPRPUJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-6(2)9-7(3)8(4)10-11(12)13-5-14-15(9)10/h5-6H,1-4H3,(H2,12,13,14).
What are the key properties of 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 204.28 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 178092801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).