5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol

C14H22FN5O — CID 169117696

IUPAC5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol
SMILESCC(C)c1cc(F)c2cnc(N)nn12.OC1CCCNC1
InChIInChI=1S/C9H11FN4.C5H11NO/c1-5(2)7-3-6(10)8-4-12-9(11)13-14(7)8;7-5-2-1-3-6-4-5/h3-5H,1-2H3,(H2,11,13);5-7H,1-4H2
InChIKeyWWYMSAMVWTVOQN-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.30
Rot. Bonds1

About 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol

5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol (PubChem CID 169117696) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol.

Molecular Properties

Compound Name5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol
PubChem CID169117696
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC Name5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol
SMILESCC(C)c1cc(F)c2cnc(N)nn12.OC1CCCNC1
InChIInChI=1S/C9H11FN4.C5H11NO/c1-5(2)7-3-6(10)8-4-12-9(11)13-14(7)8;7-5-2-1-3-6-4-5/h3-5H,1-2H3,(H2,11,13);5-7H,1-4H2
InChIKeyWWYMSAMVWTVOQN-UHFFFAOYSA-N
XLogP1.30
TPSA88.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol with MolForge

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Related Compounds

7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
CID 169117679
3,4-difluoroaniline;piperidin-3-ol
CID 158309036
5-fluoro-7-[4-methyl-5-(1,1,1-trifluoropropan-2-yl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117432
7-[2,6-difluoro-4-(1-methylcyclopropyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117739
(3R,4R)-1-ethylsulfonyl-4-[(5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]piperidin-3-ol
CID 170061736
7-(4-tert-butyl-2-fluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;oxan-3-ol
CID 169117261
5-fluoro-7-[5-(1-methylcyclopropyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169116941
1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117453
piperidin-3-ol;dihydrochloride
CID 67374500
5-fluoro-7-piperidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117038
ethane;piperidin-3-ol;pyrrolidine
CID 143998212
(3S,4R)-4-[[5-fluoro-7-[(2R)-1,1,1-trifluoropropan-2-yl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]oxan-3-ol
CID 169117997

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol?
The IUPAC name of 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol (CID 169117696) is 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol.
What is the SMILES notation for 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol?
The canonical SMILES for 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol is CC(C)c1cc(F)c2cnc(N)nn12.OC1CCCNC1.
What is the InChIKey of 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol?
The InChIKey is WWYMSAMVWTVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4.C5H11NO/c1-5(2)7-3-6(10)8-4-12-9(11)13-14(7)8;7-5-2-1-3-6-4-5/h3-5H,1-2H3,(H2,11,13);5-7H,1-4H2.
What are the key properties of 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol?
5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol has a molecular weight of 295.36 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol is sourced from PubChem (CID 169117696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).