1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine

C14H21N5 — CID 91836205

IUPAC1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2nc(CC)n[nH]2)nc1
InChIInChI=1S/C14H21N5/c1-4-11-6-7-12(15-8-11)9-19(3)10-14-16-13(5-2)17-18-14/h6-8H,4-5,9-10H2,1-3H3,(H,16,17,18)
InChIKeyYZNJFHCAXOORHW-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.96
Rot. Bonds6

About 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine

1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine (PubChem CID 91836205) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine
PubChem CID91836205
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2nc(CC)n[nH]2)nc1
InChIInChI=1S/C14H21N5/c1-4-11-6-7-12(15-8-11)9-19(3)10-14-16-13(5-2)17-18-14/h6-8H,4-5,9-10H2,1-3H3,(H,16,17,18)
InChIKeyYZNJFHCAXOORHW-UHFFFAOYSA-N
XLogP1.96
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine (CID 91836205) is 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine is CCc1ccc(CN(C)Cc2nc(CC)n[nH]2)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine?
The InChIKey is YZNJFHCAXOORHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-11-6-7-12(15-8-11)9-19(3)10-14-16-13(5-2)17-18-14/h6-8H,4-5,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine?
1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 91836205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).