3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide

C14H19N5O2 — CID 167848044

IUPAC3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide
SMILESCCn1nnc(C)c1C(=O)Nc1cc(CCOC)ccn1
InChIInChI=1S/C14H19N5O2/c1-4-19-13(10(2)17-18-19)14(20)16-12-9-11(5-7-15-12)6-8-21-3/h5,7,9H,4,6,8H2,1-3H3,(H,15,16,20)
InChIKeySXKYRKDYAAMSNL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.44
Rot. Bonds6

About 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide

3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide (PubChem CID 167848044) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide
PubChem CID167848044
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide
SMILESCCn1nnc(C)c1C(=O)Nc1cc(CCOC)ccn1
InChIInChI=1S/C14H19N5O2/c1-4-19-13(10(2)17-18-19)14(20)16-12-9-11(5-7-15-12)6-8-21-3/h5,7,9H,4,6,8H2,1-3H3,(H,15,16,20)
InChIKeySXKYRKDYAAMSNL-UHFFFAOYSA-N
XLogP1.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide (CID 167848044) is 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide is CCn1nnc(C)c1C(=O)Nc1cc(CCOC)ccn1.
What is the InChIKey of 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide?
The InChIKey is SXKYRKDYAAMSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-19-13(10(2)17-18-19)14(20)16-12-9-11(5-7-15-12)6-8-21-3/h5,7,9H,4,6,8H2,1-3H3,(H,15,16,20).
What are the key properties of 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide?
3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-(2-methoxyethyl)-2-pyridinyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 167848044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).