3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine

C8H8ClN5 — CID 106193468

IUPAC3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1cn[nH]c1
InChIInChI=1S/C8H8ClN5/c9-7-8(11-2-1-10-7)12-3-6-4-13-14-5-6/h1-2,4-5H,3H2,(H,11,12)(H,13,14)
InChIKeyZSTYUQMYQNCNEN-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.47
Rot. Bonds3

About 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine

3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine (PubChem CID 106193468) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
PubChem CID106193468
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine
SMILESClc1nccnc1NCc1cn[nH]c1
InChIInChI=1S/C8H8ClN5/c9-7-8(11-2-1-10-7)12-3-6-4-13-14-5-6/h1-2,4-5H,3H2,(H,11,12)(H,13,14)
InChIKeyZSTYUQMYQNCNEN-UHFFFAOYSA-N
XLogP1.47
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
The IUPAC name of 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine (CID 106193468) is 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine is Clc1nccnc1NCc1cn[nH]c1.
What is the InChIKey of 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
The InChIKey is ZSTYUQMYQNCNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c9-7-8(11-2-1-10-7)12-3-6-4-13-14-5-6/h1-2,4-5H,3H2,(H,11,12)(H,13,14).
What are the key properties of 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine?
3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine has a molecular weight of 209.64 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1H-pyrazol-4-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 106193468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).