3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine

C12H17N5 — CID 113442420

IUPAC3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5/c1-9-8-14-10(2)12(15-9)13-6-4-11-5-7-17(3)16-11/h5,7-8H,4,6H2,1-3H3,(H,13,15)
InChIKeyNSMHFYRJNQDOEE-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.48
Rot. Bonds4

About 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine

3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine (PubChem CID 113442420) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
PubChem CID113442420
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCCc2ccn(C)n2)n1
InChIInChI=1S/C12H17N5/c1-9-8-14-10(2)12(15-9)13-6-4-11-5-7-17(3)16-11/h5,7-8H,4,6H2,1-3H3,(H,13,15)
InChIKeyNSMHFYRJNQDOEE-UHFFFAOYSA-N
XLogP1.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine (CID 113442420) is 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine is Cc1cnc(C)c(NCCc2ccn(C)n2)n1.
What is the InChIKey of 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
The InChIKey is NSMHFYRJNQDOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-8-14-10(2)12(15-9)13-6-4-11-5-7-17(3)16-11/h5,7-8H,4,6H2,1-3H3,(H,13,15).
What are the key properties of 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine has a molecular weight of 231.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 113442420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).