2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

C14H17N7 — CID 63332274

IUPAC2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCn1cnnc1CCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H17N7/c1-21-10-18-19-13(21)4-6-16-8-12-9-17-20-14(12)11-3-2-5-15-7-11/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H,17,20)
InChIKeyZRJAPGHWYNGEQR-UHFFFAOYSA-N
MW283.34 g/mol
LogP0.93
Rot. Bonds6

About 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 63332274) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID63332274
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCn1cnnc1CCNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C14H17N7/c1-21-10-18-19-13(21)4-6-16-8-12-9-17-20-14(12)11-3-2-5-15-7-11/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H,17,20)
InChIKeyZRJAPGHWYNGEQR-UHFFFAOYSA-N
XLogP0.93
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 63332274) is 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is Cn1cnnc1CCNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is ZRJAPGHWYNGEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-21-10-18-19-13(21)4-6-16-8-12-9-17-20-14(12)11-3-2-5-15-7-11/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H,17,20).
What are the key properties of 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 283.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,4-triazol-3-yl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 63332274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).