3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine

C11H15ClN6 — CID 80689587

IUPAC3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCCc2ncn(C)n2)nc1C
InChIInChI=1S/C11H15ClN6/c1-7-8(2)16-11(10(12)15-7)13-5-4-9-14-6-18(3)17-9/h6H,4-5H2,1-3H3,(H,13,16)
InChIKeyVYYVDNUNFROAHD-UHFFFAOYSA-N
MW266.74 g/mol
LogP1.53
Rot. Bonds4

About 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine

3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (PubChem CID 80689587) has the molecular formula C11H15ClN6 and a molecular weight of 266.74 g/mol. Its IUPAC name is 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
PubChem CID80689587
Molecular FormulaC11H15ClN6
Molecular Weight266.74 g/mol
Exact Mass266.10
IUPAC Name3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
SMILESCc1nc(Cl)c(NCCc2ncn(C)n2)nc1C
InChIInChI=1S/C11H15ClN6/c1-7-8(2)16-11(10(12)15-7)13-5-4-9-14-6-18(3)17-9/h6H,4-5H2,1-3H3,(H,13,16)
InChIKeyVYYVDNUNFROAHD-UHFFFAOYSA-N
XLogP1.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.74
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 65417551
3-chloro-5,6-dimethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
CID 65574092
3-chloro-5,6-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 65574310
7-(3-chloro-5,6-dimethylpyrazin-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 65576111
2-Chloro-5,6-dimethyl-3-(1,2,4-triazol-1-yl)pyrazine
CID 65576550
3-chloro-5,6-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 65577179
2-Chloro-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-5,6-dimethylpyrazine
CID 65577190
6-chloro-4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 80681526
5-[2-(1-Methyl-1,2,4-triazol-3-yl)ethylamino]pyrazine-2-carbonitrile
CID 80682826
3,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine
CID 80689175
3,6-Dichloro-5-(4,5-dimethylimidazol-1-yl)-1,2,4-triazine
CID 81037025
3,6-dichloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,4-triazin-5-amine
CID 81037852

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The IUPAC name of 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine (CID 80689587) is 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The canonical SMILES for 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is Cc1nc(Cl)c(NCCc2ncn(C)n2)nc1C.
What is the InChIKey of 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
The InChIKey is VYYVDNUNFROAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6/c1-7-8(2)16-11(10(12)15-7)13-5-4-9-14-6-18(3)17-9/h6H,4-5H2,1-3H3,(H,13,16).
What are the key properties of 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine?
3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine has a molecular weight of 266.74 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5,6-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 80689587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).