(3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol

C9H14FN5O — CID 167335002

IUPAC(3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol
SMILESC[C@@]1(F)CN(c2nncc(N)n2)CC[C@H]1O
InChIInChI=1S/C9H14FN5O/c1-9(10)5-15(3-2-6(9)16)8-13-7(11)4-12-14-8/h4,6,16H,2-3,5H2,1H3,(H2,11,13,14)/t6-,9-/m1/s1
InChIKeyZULSPEVECSFXDO-HZGVNTEJSA-N
MW227.24 g/mol
LogP-0.25
Rot. Bonds1

About (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol

(3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol (PubChem CID 167335002) has the molecular formula C9H14FN5O and a molecular weight of 227.24 g/mol. Its IUPAC name is (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol
PubChem CID167335002
Molecular FormulaC9H14FN5O
Molecular Weight227.24 g/mol
Exact Mass227.12
IUPAC Name(3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol
SMILESC[C@@]1(F)CN(c2nncc(N)n2)CC[C@H]1O
InChIInChI=1S/C9H14FN5O/c1-9(10)5-15(3-2-6(9)16)8-13-7(11)4-12-14-8/h4,6,16H,2-3,5H2,1H3,(H2,11,13,14)/t6-,9-/m1/s1
InChIKeyZULSPEVECSFXDO-HZGVNTEJSA-N
XLogP-0.25
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

3-(4-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 151535013
(3S,4R)-3-fluoro-3-methyl-1-[5-[[8-[(2R)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]-1,2,4-triazin-3-yl]piperidin-4-ol
CID 166547296
[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid
CID 146563064
2-[(3S,4R)-4-(2-azidoethoxy)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156538324
(4R)-1-(4-aminopyrimidin-2-yl)-3,3-difluoro-4-methylpiperidin-4-ol
CID 156538363
6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-N-(3-hydroxycyclobutyl)-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166549849
2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156550418
N-[(1R)-1-amino-2-fluoroethyl]-6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridine-1-carboxamide
CID 166550039
(3S,4R)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 156550348
(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-fluoropiperidin-3-ol
CID 165390561
(3S,4R)-3-fluoro-1-[4-[[5-[(2S)-1-hydroxypropan-2-yl]-8-[(2R)-2-methylazetidin-1-yl]-2,6-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3-methylpiperidin-4-ol
CID 166546572
(3S,4R)-3-fluoro-3-methyl-1-[4-[[8-[3-(methylsulfonylmethyl)cyclobutyl]-5-propan-2-ylisoquinolin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
CID 167276857

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol (CID 167335002) is (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol is C[C@@]1(F)CN(c2nncc(N)n2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol?
The InChIKey is ZULSPEVECSFXDO-HZGVNTEJSA-N. The full InChI is InChI=1S/C9H14FN5O/c1-9(10)5-15(3-2-6(9)16)8-13-7(11)4-12-14-8/h4,6,16H,2-3,5H2,1H3,(H2,11,13,14)/t6-,9-/m1/s1.
What are the key properties of (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol?
(3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol has a molecular weight of 227.24 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(5-amino-1,2,4-triazin-3-yl)-3-fluoro-3-methylpiperidin-4-ol is sourced from PubChem (CID 167335002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).