2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C7H8N4 — CID 55285512

IUPAC2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1nc(N)c2cccn2n1
InChIInChI=1S/C7H8N4/c1-5-9-7(8)6-3-2-4-11(6)10-5/h2-4H,1H3,(H2,8,9,10)
InChIKeyWNZYBEJCEJFTES-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.62
Rot. Bonds

About 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine

2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 55285512) has the molecular formula C7H8N4 and a molecular weight of 148.17 g/mol. Its IUPAC name is 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID55285512
Molecular FormulaC7H8N4
Molecular Weight148.17 g/mol
Exact Mass148.07
IUPAC Name2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1nc(N)c2cccn2n1
InChIInChI=1S/C7H8N4/c1-5-9-7(8)6-3-2-4-11(6)10-5/h2-4H,1H3,(H2,8,9,10)
InChIKeyWNZYBEJCEJFTES-UHFFFAOYSA-N
XLogP0.62
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 55285512) is 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1nc(N)c2cccn2n1.
What is the InChIKey of 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is WNZYBEJCEJFTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4/c1-5-9-7(8)6-3-2-4-11(6)10-5/h2-4H,1H3,(H2,8,9,10).
What are the key properties of 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 148.17 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 55285512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).