(1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

C8H10N6 — CID 93005356

IUPAC(1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H10N6/c1-5(9)7-12-8(14-13-7)6-4-10-2-3-11-6/h2-5H,9H2,1H3,(H,12,13,14)/t5-/m0/s1
InChIKeyVPKKTCYNHHYISW-YFKPBYRVSA-N
MW190.21 g/mol
LogP0.28
Rot. Bonds2

About (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine

(1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 93005356) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID93005356
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
SMILESC[C@H](N)c1nc(-c2cnccn2)n[nH]1
InChIInChI=1S/C8H10N6/c1-5(9)7-12-8(14-13-7)6-4-10-2-3-11-6/h2-5H,9H2,1H3,(H,12,13,14)/t5-/m0/s1
InChIKeyVPKKTCYNHHYISW-YFKPBYRVSA-N
XLogP0.28
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine (CID 93005356) is (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is C[C@H](N)c1nc(-c2cnccn2)n[nH]1.
What is the InChIKey of (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is VPKKTCYNHHYISW-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10N6/c1-5(9)7-12-8(14-13-7)6-4-10-2-3-11-6/h2-5H,9H2,1H3,(H,12,13,14)/t5-/m0/s1.
What are the key properties of (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine?
(1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 190.21 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 93005356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).