4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine

C19H29N7O — CID 72900566

IUPAC4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cnc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cn1
InChIInChI=1S/C19H29N7O/c1-15-11-21-17(12-20-15)13-25-5-3-16(4-6-25)19-23-22-18(24(19)2)14-26-7-9-27-10-8-26/h11-12,16H,3-10,13-14H2,1-2H3
InChIKeyWGRJYNUNAZGNOT-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.13
Rot. Bonds5

About 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine

4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (PubChem CID 72900566) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
PubChem CID72900566
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
SMILESCc1cnc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cn1
InChIInChI=1S/C19H29N7O/c1-15-11-21-17(12-20-15)13-25-5-3-16(4-6-25)19-23-22-18(24(19)2)14-26-7-9-27-10-8-26/h11-12,16H,3-10,13-14H2,1-2H3
InChIKeyWGRJYNUNAZGNOT-UHFFFAOYSA-N
XLogP1.13
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(5-methylpyrazin-2-yl)methyl]morpholine
CID 72141674
2-{1-butyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-1,2,4-triazol-5-yl}-5-methylpyrazine
CID 72881549
2-[5-[4-(Methoxymethyl)-4-methylpiperidin-1-yl]-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]pyrazine
CID 136572943
2-[4-Ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine
CID 136572944
(2R)-4-(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)-2-propan-2-ylmorpholine
CID 171359709
8-(4-Morpholinylmethyl)-3-(2-pyrazinyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrimidine
CID 12143099
4-({5-[1-(1H-imidazol-4-ylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70722962
2-[[3-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 53614264
2-({2-[1-(2-methoxyethyl)piperidin-4-yl]-1H-imidazol-1-yl}methyl)-5-methylpyrazine
CID 56862109
2,5-dimethyl-3-{4-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrazine
CID 70705114
4-{[4-methyl-5-(1-pyrimidin-2-ylpiperidin-4-yl)-4H-1,2,4-triazol-3-yl]methyl}morpholine
CID 70712761
4-({4-methyl-5-[1-(3-methylpyrazin-2-yl)piperidin-3-yl]-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70733052

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine (CID 72900566) is 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is Cc1cnc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)cn1.
What is the InChIKey of 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
The InChIKey is WGRJYNUNAZGNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-15-11-21-17(12-20-15)13-25-5-3-16(4-6-25)19-23-22-18(24(19)2)14-26-7-9-27-10-8-26/h11-12,16H,3-10,13-14H2,1-2H3.
What are the key properties of 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine?
4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine has a molecular weight of 371.49 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[1-[(5-methylpyrazin-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine is sourced from PubChem (CID 72900566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).