(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

C17H23N7O — CID 95282609

IUPAC(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCCCc1cc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n2ncnc2n1
InChIInChI=1S/C17H23N7O/c1-3-4-14-7-16(24-17(21-14)18-12-20-24)22-5-6-25-15(10-22)11-23-9-13(2)8-19-23/h7-9,12,15H,3-6,10-11H2,1-2H3/t15-/m1/s1
InChIKeyONJLDYPTYWBBOE-OAHLLOKOSA-N
MW341.42 g/mol
LogP1.49
Rot. Bonds5

About (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine

(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (PubChem CID 95282609) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
PubChem CID95282609
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
SMILESCCCc1cc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n2ncnc2n1
InChIInChI=1S/C17H23N7O/c1-3-4-14-7-16(24-17(21-14)18-12-20-24)22-5-6-25-15(10-22)11-23-9-13(2)8-19-23/h7-9,12,15H,3-6,10-11H2,1-2H3/t15-/m1/s1
InChIKeyONJLDYPTYWBBOE-OAHLLOKOSA-N
XLogP1.49
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95599921
(2S)-2-(3-chlorophenyl)-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 99821872
4-N-butyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]pyrimidine-2,4-diamine
CID 100671588
2-[(4-methylpyrazol-1-yl)methyl]-4-pyridin-2-ylmorpholine
CID 133281884
5-methyl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-4,5-dihydro-1,3-thiazole
CID 56795551
N-[(4-methylmorpholin-2-yl)methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 154736482
5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid
CID 122106768
(2S)-2-[(4-methylpyrazol-1-yl)methyl]-4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 95337729
N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95303544
1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 126770658
4-[1-(4-methylphenyl)tetrazol-5-yl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 133281997
2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133347018

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The IUPAC name of (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine (CID 95282609) is (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine.
What is the SMILES notation for (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The canonical SMILES for (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is CCCc1cc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n2ncnc2n1.
What is the InChIKey of (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
The InChIKey is ONJLDYPTYWBBOE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N7O/c1-3-4-14-7-16(24-17(21-14)18-12-20-24)22-5-6-25-15(10-22)11-23-9-13(2)8-19-23/h7-9,12,15H,3-6,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine?
(2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine has a molecular weight of 341.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methylpyrazol-1-yl)methyl]-4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholine is sourced from PubChem (CID 95282609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).