4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine

C16H23N7O — CID 31193583

IUPAC4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine
SMILESc1cnc(N2CCC(n3cc(CN4CCOCC4)nn3)CC2)cn1
InChIInChI=1S/C16H23N7O/c1-5-22(16-11-17-3-4-18-16)6-2-15(1)23-13-14(19-20-23)12-21-7-9-24-10-8-21/h3-4,11,13,15H,1-2,5-10,12H2
InChIKeyBAMBEVJRBQYDPO-UHFFFAOYSA-N
MW329.41 g/mol
LogP0.74
Rot. Bonds4

About 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine

4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine (PubChem CID 31193583) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine
PubChem CID31193583
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine
SMILESc1cnc(N2CCC(n3cc(CN4CCOCC4)nn3)CC2)cn1
InChIInChI=1S/C16H23N7O/c1-5-22(16-11-17-3-4-18-16)6-2-15(1)23-13-14(19-20-23)12-21-7-9-24-10-8-21/h3-4,11,13,15H,1-2,5-10,12H2
InChIKeyBAMBEVJRBQYDPO-UHFFFAOYSA-N
XLogP0.74
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[Cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 155521458
[4-[Cyclopentyl(pyrazin-2-ylmethyl)amino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneazanide
CID 137348634
N-(oxan-3-yl)-6-(trifluoromethyl)pyrazin-2-amine;4-(triazol-1-yl)piperidine
CID 177015328
4-[[1-(1-Pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 154891282
4-[[6-(4-Propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]morpholine
CID 91091051
6-morpholin-4-yl-4-N-piperidin-4-yl-2-N-[[1-[3-(propan-2-ylamino)propyl]triazol-4-yl]methyl]pyrimidine-2,4-diamine
CID 167455269
4-(4-{4-[(2,2-dimethylmorpholin-4-yl)methyl]-1H-1,2,3-triazol-1-yl}piperidin-1-yl)pyrimidin-2-amine
CID 31017533
4-({1-[1-(2-pyrimidinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}methyl)morpholine bis(trifluoroacetate)
CID 31105162
2-[4-[4-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]triazol-1-yl]piperidin-1-yl]pyrazine
CID 31161132
[3-(3-Morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 63171483
[5-(3-Morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 64289319
[6-(3-Morpholin-4-ylpyrrolidin-1-yl)pyrazin-2-yl]methanamine
CID 66450703

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine (CID 31193583) is 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine is c1cnc(N2CCC(n3cc(CN4CCOCC4)nn3)CC2)cn1.
What is the InChIKey of 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
The InChIKey is BAMBEVJRBQYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-5-22(16-11-17-3-4-18-16)6-2-15(1)23-13-14(19-20-23)12-21-7-9-24-10-8-21/h3-4,11,13,15H,1-2,5-10,12H2.
What are the key properties of 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine?
4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine has a molecular weight of 329.41 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1-pyrazin-2-ylpiperidin-4-yl)triazol-4-yl]methyl]morpholine is sourced from PubChem (CID 31193583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).