7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

C20H18N4O2 — CID 57402936

IUPAC7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)cc1
InChIInChI=1S/C20H18N4O2/c1-25-16-10-7-14(8-11-16)22-20-21-13-15-9-12-18(24(15)23-20)17-5-3-4-6-19(17)26-2/h3-13H,1-2H3,(H,22,23)
InChIKeyLHHGPWPUBLDJPL-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.16
Rot. Bonds5

About 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine

7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 57402936) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID57402936
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESCOc1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)cc1
InChIInChI=1S/C20H18N4O2/c1-25-16-10-7-14(8-11-16)22-20-21-13-15-9-12-18(24(15)23-20)17-5-3-4-6-19(17)26-2/h3-13H,1-2H3,(H,22,23)
InChIKeyLHHGPWPUBLDJPL-UHFFFAOYSA-N
XLogP4.16
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methyl-3,4-dihydro-2H-quinolin-7-amine
CID 66712095
N-(3-fluoro-4-morpholin-4-ylphenyl)-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66710818
7-(2-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 57399415
7-(2-methoxyphenyl)-N-[3-(2-morpholin-4-ylethyl)benzimidazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 66712598
2-[7-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 66712389
2-[4-cyano-4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
CID 66711909
2-[2-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenoxy]acetic acid
CID 66712091
7-(2-methoxyphenyl)-2-methylsulfonylpyrrolo[2,1-f][1,2,4]triazine
CID 66712321
2-[2-[2-(4-morpholin-4-ylanilino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenoxy]acetonitrile
CID 66712286
3-[[7-(5-chloro-2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]benzamide
CID 66710717
2-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66712519
N-[4-[1-(2-fluoroethyl)piperidin-4-yl]-2-methoxyphenyl]-7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 87120017

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 57402936) is 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is COc1ccc(Nc2ncc3ccc(-c4ccccc4OC)n3n2)cc1.
What is the InChIKey of 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is LHHGPWPUBLDJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-16-10-7-14(8-11-16)22-20-21-13-15-9-12-18(24(15)23-20)17-5-3-4-6-19(17)26-2/h3-13H,1-2H3,(H,22,23).
What are the key properties of 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine?
7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 346.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-N-(4-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 57402936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).