5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine

C12H18N6S — CID 103060195

IUPAC5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc(C)n2C)cn1
InChIInChI=1S/C12H18N6S/c1-4-5-13-11-7-14-10(6-15-11)8-19-12-17-16-9(2)18(12)3/h6-7H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyJYVZXLSEGQZFSY-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.03
Rot. Bonds6

About 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine

5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine (PubChem CID 103060195) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
PubChem CID103060195
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine
SMILESCCCNc1cnc(CSc2nnc(C)n2C)cn1
InChIInChI=1S/C12H18N6S/c1-4-5-13-11-7-14-10(6-15-11)8-19-12-17-16-9(2)18(12)3/h6-7H,4-5,8H2,1-3H3,(H,13,15)
InChIKeyJYVZXLSEGQZFSY-UHFFFAOYSA-N
XLogP2.03
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-5-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)pyrazin-2-amine
CID 103060121
5-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059685
N-propyl-5-(pyridin-2-ylsulfanylmethyl)pyrazin-2-amine
CID 103059738
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
CID 113368229
N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060394
5-[(2-nitrophenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059897
[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232663
8-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylimidazo[1,2-a]pyrazin-6-amine
CID 80888691
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine
CID 79260449
5-[(3,5-diethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057590
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057201

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine (CID 103060195) is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine.
What is the SMILES notation for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The canonical SMILES for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine is CCCNc1cnc(CSc2nnc(C)n2C)cn1.
What is the InChIKey of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
The InChIKey is JYVZXLSEGQZFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-4-5-13-11-7-14-10(6-15-11)8-19-12-17-16-9(2)18(12)3/h6-7H,4-5,8H2,1-3H3,(H,13,15).
What are the key properties of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine?
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-propylpyrazin-2-amine is sourced from PubChem (CID 103060195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).