N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C15H22N6O4S — CID 99935668

IUPACN-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)nc2ncnn12
InChIInChI=1S/C15H22N6O4S/c1-10(2)13-6-12(19-15-17-9-18-21(13)15)14(22)16-7-11-8-20(4-5-25-11)26(3,23)24/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,22)/t11-/m1/s1
InChIKeyDBOGWBOJZDCBFI-LLVKDONJSA-N
MW382.45 g/mol
LogP-0.36
Rot. Bonds5

About N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 99935668) has the molecular formula C15H22N6O4S and a molecular weight of 382.45 g/mol. Its IUPAC name is N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID99935668
Molecular FormulaC15H22N6O4S
Molecular Weight382.45 g/mol
Exact Mass382.14
IUPAC NameN-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)nc2ncnn12
InChIInChI=1S/C15H22N6O4S/c1-10(2)13-6-12(19-15-17-9-18-21(13)15)14(22)16-7-11-8-20(4-5-25-11)26(3,23)24/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,22)/t11-/m1/s1
InChIKeyDBOGWBOJZDCBFI-LLVKDONJSA-N
XLogP-0.36
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
N-[(2,6-difluorophenyl)methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 72848065
N-[(1S,2R)-2-aminocyclobutyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 56906980
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 131916690
6-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 74230815
N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77080556
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 99949308

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 99935668) is N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NC[C@@H]2CN(S(C)(=O)=O)CCO2)nc2ncnn12.
What is the InChIKey of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is DBOGWBOJZDCBFI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N6O4S/c1-10(2)13-6-12(19-15-17-9-18-21(13)15)14(22)16-7-11-8-20(4-5-25-11)26(3,23)24/h6,9-11H,4-5,7-8H2,1-3H3,(H,16,22)/t11-/m1/s1.
What are the key properties of N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 382.45 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 99935668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).