3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine

C14H13N5O — CID 146178279

IUPAC3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESc1cc2c(Oc3cnc4c(c3)CNCC4)ncnn2c1
InChIInChI=1S/C14H13N5O/c1-2-13-14(17-9-18-19(13)5-1)20-11-6-10-7-15-4-3-12(10)16-8-11/h1-2,5-6,8-9,15H,3-4,7H2
InChIKeyAYUATDHZPOOEFJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.56
Rot. Bonds2

About 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine

3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine (PubChem CID 146178279) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine.

Molecular Properties

Compound Name3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine
PubChem CID146178279
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine
SMILESc1cc2c(Oc3cnc4c(c3)CNCC4)ncnn2c1
InChIInChI=1S/C14H13N5O/c1-2-13-14(17-9-18-19(13)5-1)20-11-6-10-7-15-4-3-12(10)16-8-11/h1-2,5-6,8-9,15H,3-4,7H2
InChIKeyAYUATDHZPOOEFJ-UHFFFAOYSA-N
XLogP1.56
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyrazine
CID 72165213
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
N-(4-{[2-(dimethylamino)ethyl]oxy}-phenyl)-5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
CID 11372661
N1-(3-Fluoro-4-(5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yloxy)phenyl)-N3-(4-fluoro-phenyl)malonamide
CID 11546617
2-(4-fluorophenyl)-N-[[3-fluoro-4-[5-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]acetamide
CID 21081489
2-(4-fluorophenyl)-N-[[3-fluoro-4-[5-[(piperidin-4-ylamino)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]carbamoyl]acetamide
CID 21081490
N-(1-methyl-1H-pyrazol-3-yl)-6-(pyrazin-2-yloxy)quinazolin-4-amine
CID 23160279
N-((6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45102733
N-((6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-7-methoxy-1,5-naphthyridin-4-amine
CID 45487862
7-methoxy-N-((6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)-1,5-naphthyridin-4-amine
CID 45487864
12-Methoxy-3-(5-methoxy-3-pyridinyl)-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 46199019

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The IUPAC name of 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine (CID 146178279) is 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine.
What is the SMILES notation for 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The canonical SMILES for 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine is c1cc2c(Oc3cnc4c(c3)CNCC4)ncnn2c1.
What is the InChIKey of 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
The InChIKey is AYUATDHZPOOEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-2-13-14(17-9-18-19(13)5-1)20-11-6-10-7-15-4-3-12(10)16-8-11/h1-2,5-6,8-9,15H,3-4,7H2.
What are the key properties of 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine?
3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine has a molecular weight of 267.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolo[2,1-f][1,2,4]triazin-4-yloxy-5,6,7,8-tetrahydro-1,6-naphthyridine is sourced from PubChem (CID 146178279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).