2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide

C15H21N5O2 — CID 146038853

IUPAC2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cc(C)ncc1OC
InChIInChI=1S/C15H21N5O2/c1-4-5-6-20-15(18-14(19-20)8-13(16)21)11-7-10(2)17-9-12(11)22-3/h7,9H,4-6,8H2,1-3H3,(H2,16,21)
InChIKeyNOIPMFRLISMQBN-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.49
Rot. Bonds7

About 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 146038853) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID146038853
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1-c1cc(C)ncc1OC
InChIInChI=1S/C15H21N5O2/c1-4-5-6-20-15(18-14(19-20)8-13(16)21)11-7-10(2)17-9-12(11)22-3/h7,9H,4-6,8H2,1-3H3,(H2,16,21)
InChIKeyNOIPMFRLISMQBN-UHFFFAOYSA-N
XLogP1.49
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(5-methoxy-2-methyl-4-pyridinyl)-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]acetamide
CID 146039964
2-[1-butyl-5-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]acetamide
CID 72873850
2-[1-butyl-5-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazol-3-yl]acetamide
CID 72925150
2-[1-butyl-5-[(4,5-dimethylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 72896730
5-methoxy-2-methyl-4-[5-methyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]pyridine
CID 146042267
2-[1-butyl-5-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-1,2,4-triazol-3-yl]acetamide
CID 146038431
ethyl 2-(5-methoxy-2-methyl-4-pyridinyl)acetate
CID 5314331
2-[1-butyl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-triazol-3-yl]acetamide
CID 97456838
2-[5-(4,6-dimethyl-3-pyridinyl)-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-N-methylacetamide
CID 146040535
3-[(5-methoxy-2-methyl-4-pyridinyl)amino]propanamide
CID 106660291
4-methoxy-6-methylpyridine-3-carboxamide
CID 69278952
2-[5-[4-(1,3-benzothiazol-2-yl)butyl]-1-butyl-1,2,4-triazol-3-yl]acetamide
CID 154823431

Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide (CID 146038853) is 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1-c1cc(C)ncc1OC.
What is the InChIKey of 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is NOIPMFRLISMQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-4-5-6-20-15(18-14(19-20)8-13(16)21)11-7-10(2)17-9-12(11)22-3/h7,9H,4-6,8H2,1-3H3,(H2,16,21).
What are the key properties of 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 303.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-(5-methoxy-2-methyl-4-pyridinyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 146038853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).