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

C10H14N6S — CID 103060394

IUPACN-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2ncnn2C)cn1
InChIInChI=1S/C10H14N6S/c1-3-11-9-5-12-8(4-13-9)6-17-10-14-7-15-16(10)2/h4-5,7H,3,6H2,1-2H3,(H,11,13)
InChIKeySDIXGWLPVIRTFF-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.33
Rot. Bonds5

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

N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine (PubChem CID 103060394) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
PubChem CID103060394
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC NameN-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
SMILESCCNc1cnc(CSc2ncnn2C)cn1
InChIInChI=1S/C10H14N6S/c1-3-11-9-5-12-8(4-13-9)6-17-10-14-7-15-16(10)2/h4-5,7H,3,6H2,1-2H3,(H,11,13)
InChIKeySDIXGWLPVIRTFF-UHFFFAOYSA-N
XLogP1.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine (CID 103060394) is N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine is CCNc1cnc(CSc2ncnn2C)cn1.
What is the InChIKey of N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine?
The InChIKey is SDIXGWLPVIRTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c1-3-11-9-5-12-8(4-13-9)6-17-10-14-7-15-16(10)2/h4-5,7H,3,6H2,1-2H3,(H,11,13).
What are the key properties of N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine?
N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine has a molecular weight of 250.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine is sourced from PubChem (CID 103060394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).