[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol

C18H15N5O — CID 118711860

IUPAC[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1
InChIInChI=1S/C18H15N5O/c24-11-13-1-3-14(4-2-13)15-9-17-18(20-12-21-23(17)10-15)22-16-5-7-19-8-6-16/h1-10,12,24H,11H2,(H,19,20,21,22)
InChIKeyDXPZYGVCHDGFDE-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.03
Rot. Bonds4

About [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol

[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol (PubChem CID 118711860) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
PubChem CID118711860
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1
InChIInChI=1S/C18H15N5O/c24-11-13-1-3-14(4-2-13)15-9-17-18(20-12-21-23(17)10-15)22-16-5-7-19-8-6-16/h1-10,12,24H,11H2,(H,19,20,21,22)
InChIKeyDXPZYGVCHDGFDE-UHFFFAOYSA-N
XLogP3.03
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
2-(4-{4-[7-(3-Hydroxymethyl-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperidin-1-yl)-acetamide
CID 57401364
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
6-Phenyl-N-(Pyridin-4-Yl)pyrrolo[2,1-F][1,2,4]triazin-4-Amine
CID 77068235
2-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708238
3-[3-(7-Amino-2-phenylpyrazolo[4,3-d]pyrimidin-5-yl)propyl]phenol
CID 118708239
2-[4-[[4-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 44533020
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
(4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-yl}-methanol
CID 22390542
(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-7-yl)methanol
CID 44410563
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387

Frequently Asked Questions

What is the IUPAC name of [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol?
The IUPAC name of [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol (CID 118711860) is [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol is OCc1ccc(-c2cc3c(Nc4ccncc4)ncnn3c2)cc1.
What is the InChIKey of [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol?
The InChIKey is DXPZYGVCHDGFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-11-13-1-3-14(4-2-13)15-9-17-18(20-12-21-23(17)10-15)22-16-5-7-19-8-6-16/h1-10,12,24H,11H2,(H,19,20,21,22).
What are the key properties of [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol?
[4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol has a molecular weight of 317.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]phenyl]methanol is sourced from PubChem (CID 118711860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).