N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C9H12N4 — CID 118711762

IUPACN-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)Nc1ncnn2cccc12
InChIInChI=1S/C9H12N4/c1-7(2)12-9-8-4-3-5-13(8)11-6-10-9/h3-7H,1-2H3,(H,10,11,12)
InChIKeyMJBKHTNBSYWNOX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.55
Rot. Bonds2

About N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711762) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711762
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)Nc1ncnn2cccc12
InChIInChI=1S/C9H12N4/c1-7(2)12-9-8-4-3-5-13(8)11-6-10-9/h3-7H,1-2H3,(H,10,11,12)
InChIKeyMJBKHTNBSYWNOX-UHFFFAOYSA-N
XLogP1.55
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711762) is N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)Nc1ncnn2cccc12.
What is the InChIKey of N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MJBKHTNBSYWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-7(2)12-9-8-4-3-5-13(8)11-6-10-9/h3-7H,1-2H3,(H,10,11,12).
What are the key properties of N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 176.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).