N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide

C19H22N6O — CID 155944287

IUPACN-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide
SMILESCC(C)c1ncc(CN(C)C(=O)Cc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H22N6O/c1-14(2)19-20-10-15(11-21-19)13-24(3)18(26)9-16-12-22-25(23-16)17-7-5-4-6-8-17/h4-8,10-12,14H,9,13H2,1-3H3
InChIKeyQWRKVQWMMBOTGN-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.38
Rot. Bonds6

About N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide

N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide (PubChem CID 155944287) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide
PubChem CID155944287
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide
SMILESCC(C)c1ncc(CN(C)C(=O)Cc2cnn(-c3ccccc3)n2)cn1
InChIInChI=1S/C19H22N6O/c1-14(2)19-20-10-15(11-21-19)13-24(3)18(26)9-16-12-22-25(23-16)17-7-5-4-6-8-17/h4-8,10-12,14H,9,13H2,1-3H3
InChIKeyQWRKVQWMMBOTGN-UHFFFAOYSA-N
XLogP2.38
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-methyl-N-[(2-phenyltriazol-4-yl)methyl]propanamide;hydrochloride
CID 119293398
N-ethyl-N-(1-methylpyrazol-4-yl)-2-(2-phenyltriazol-4-yl)acetamide
CID 155952328
2-[(2-phenyltriazol-4-yl)methylamino]propanoic acid
CID 54959625
N-(4-chlorophenyl)-2-(2-phenyltriazol-4-yl)-N-propylacetamide
CID 155947206
3-[[methyl-[(2-phenyltriazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 122017669
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 75485191
3-methyl-1-(2-phenyltriazol-4-yl)butan-1-one
CID 105077581
N-methyl-N-[(2-methylphenyl)methyl]-2-phenyltriazole-4-carboxamide
CID 18114006
1-methyl-1-[(2-phenyltriazol-4-yl)methyl]-3-(1,2-thiazol-5-yl)urea
CID 167933159
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31645281
N,N-dimethyl-2-phenyltriazole-4-carboxamide
CID 22103711
3-[methyl-[(2-phenyltriazol-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981009

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide (CID 155944287) is N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide is CC(C)c1ncc(CN(C)C(=O)Cc2cnn(-c3ccccc3)n2)cn1.
What is the InChIKey of N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide?
The InChIKey is QWRKVQWMMBOTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-14(2)19-20-10-15(11-21-19)13-24(3)18(26)9-16-12-22-25(23-16)17-7-5-4-6-8-17/h4-8,10-12,14H,9,13H2,1-3H3.
What are the key properties of N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide?
N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-phenyltriazol-4-yl)-N-[(2-propan-2-ylpyrimidin-5-yl)methyl]acetamide is sourced from PubChem (CID 155944287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).