2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine

C9H12N6 — CID 96618564

IUPAC2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]ncc1Cc1cncnn1
InChIInChI=1S/C9H12N6/c10-2-1-9-7(4-12-15-9)3-8-5-11-6-13-14-8/h4-6H,1-3,10H2,(H,12,15)
InChIKeyOJQHCZKUEAZDJJ-UHFFFAOYSA-N
MW204.24 g/mol
LogP-0.31
Rot. Bonds4

About 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine

2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 96618564) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID96618564
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine
SMILESNCCc1[nH]ncc1Cc1cncnn1
InChIInChI=1S/C9H12N6/c10-2-1-9-7(4-12-15-9)3-8-5-11-6-13-14-8/h4-6H,1-3,10H2,(H,12,15)
InChIKeyOJQHCZKUEAZDJJ-UHFFFAOYSA-N
XLogP-0.31
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine (CID 96618564) is 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine is NCCc1[nH]ncc1Cc1cncnn1.
What is the InChIKey of 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is OJQHCZKUEAZDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-2-1-9-7(4-12-15-9)3-8-5-11-6-13-14-8/h4-6H,1-3,10H2,(H,12,15).
What are the key properties of 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine?
2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 204.24 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,4-triazin-6-ylmethyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 96618564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).