2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide

C18H25N5O2 — CID 175641474

IUPAC2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCc1nc(C)n(CC(=O)NC2CCC(Oc3cccnc3C)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-12-17(5-4-10-19-12)25-16-8-6-15(7-9-16)21-18(24)11-23-14(3)20-13(2)22-23/h4-5,10,15-16H,6-9,11H2,1-3H3,(H,21,24)
InChIKeySHFVXHGMJFVDOH-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.10
Rot. Bonds5

About 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide (PubChem CID 175641474) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
PubChem CID175641474
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide
SMILESCc1nc(C)n(CC(=O)NC2CCC(Oc3cccnc3C)CC2)n1
InChIInChI=1S/C18H25N5O2/c1-12-17(5-4-10-19-12)25-16-8-6-15(7-9-16)21-18(24)11-23-14(3)20-13(2)22-23/h4-5,10,15-16H,6-9,11H2,1-3H3,(H,21,24)
InChIKeySHFVXHGMJFVDOH-UHFFFAOYSA-N
XLogP2.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide (CID 175641474) is 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide is Cc1nc(C)n(CC(=O)NC2CCC(Oc3cccnc3C)CC2)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
The InChIKey is SHFVXHGMJFVDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-17(5-4-10-19-12)25-16-8-6-15(7-9-16)21-18(24)11-23-14(3)20-13(2)22-23/h4-5,10,15-16H,6-9,11H2,1-3H3,(H,21,24).
What are the key properties of 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide?
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]acetamide is sourced from PubChem (CID 175641474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).