2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine

C10H14N4O — CID 112713429

IUPAC2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine
SMILESCOc1ncnn2cc(C(C)CN)cc12
InChIInChI=1S/C10H14N4O/c1-7(4-11)8-3-9-10(15-2)12-6-13-14(9)5-8/h3,5-7H,4,11H2,1-2H3
InChIKeyRLRFQQRLHZOVGB-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.80
Rot. Bonds3

About 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine

2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine (PubChem CID 112713429) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine
PubChem CID112713429
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine
SMILESCOc1ncnn2cc(C(C)CN)cc12
InChIInChI=1S/C10H14N4O/c1-7(4-11)8-3-9-10(15-2)12-6-13-14(9)5-8/h3,5-7H,4,11H2,1-2H3
InChIKeyRLRFQQRLHZOVGB-UHFFFAOYSA-N
XLogP0.80
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine?
The IUPAC name of 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine (CID 112713429) is 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine.
What is the SMILES notation for 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine?
The canonical SMILES for 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine is COc1ncnn2cc(C(C)CN)cc12.
What is the InChIKey of 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine?
The InChIKey is RLRFQQRLHZOVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-7(4-11)8-3-9-10(15-2)12-6-13-14(9)5-8/h3,5-7H,4,11H2,1-2H3.
What are the key properties of 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine?
2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine has a molecular weight of 206.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypyrrolo[2,1-f][1,2,4]triazin-6-yl)propan-1-amine is sourced from PubChem (CID 112713429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).