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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Related Compounds

2-Chloro-3-[4-(trifluoromethyl)pyrazol-1-yl]pyrazine
CID 64178973
6-Fluoro-n-[2-(1h-pyrazol-4-yl)ethyl]pyrazin-2-amine
CID 164646869
3-Fluoro-n-[(1h-pyrazol-4-yl)methyl]pyrazin-2-amine
CID 164648132
2-Amino-5-(4-methyl-1H-pyrazol-1-yl)pyrazine
CID 66520531
2-[3-chloro-4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
CID 68738196
2-[2-chloro-4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
CID 68795886
pyrazin-2-amine;1H-pyrazole
CID 68877252
6-chloro-N-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 79779392
2-(4-Methyl-1h-pyrazol-1-yl)pyrazine
CID 81042715
3'-Chloro-4-(1-methyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine
CID 86641657
2-chloro-3-[4-[1-(1H-pyrazol-4-yl)ethyl]piperazin-1-yl]pyrazine
CID 87510066
2-Amino-3-(4-methyl-1H-pyrazol-1-yl)pyrazine
CID 102988530

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).