3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine

C12H16ClN5 — CID 106106127

IUPAC3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCCc2ccn(C)n2)nc1C
InChIInChI=1S/C12H16ClN5/c1-8-9(2)16-12(11(13)15-8)14-6-4-10-5-7-18(3)17-10/h5,7H,4,6H2,1-3H3,(H,14,16)
InChIKeyZQRKEQTUXMRQEL-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.13
Rot. Bonds4

About 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine

3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine (PubChem CID 106106127) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
PubChem CID106106127
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCCc2ccn(C)n2)nc1C
InChIInChI=1S/C12H16ClN5/c1-8-9(2)16-12(11(13)15-8)14-6-4-10-5-7-18(3)17-10/h5,7H,4,6H2,1-3H3,(H,14,16)
InChIKeyZQRKEQTUXMRQEL-UHFFFAOYSA-N
XLogP2.13
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
6-N,2,5-trimethyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106808
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
2-chloro-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106106124
6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143844
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,3-thiazol-2-amine
CID 106105461
3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106105459
6-hydrazinyl-5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106106901
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 106105393
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521
1-methyl-3-[2-(1-methylpyrazol-3-yl)ethylamino]pyrazin-2-one
CID 104626468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine (CID 106106127) is 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine is Cc1nc(Cl)c(NCCc2ccn(C)n2)nc1C.
What is the InChIKey of 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
The InChIKey is ZQRKEQTUXMRQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-8-9(2)16-12(11(13)15-8)14-6-4-10-5-7-18(3)17-10/h5,7H,4,6H2,1-3H3,(H,14,16).
What are the key properties of 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine?
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine has a molecular weight of 265.75 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 106106127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).