[4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine

C11H18N6S — CID 66155150

IUPAC[4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1cncc1CSc1nnc(CN)n1C
InChIInChI=1S/C11H18N6S/c1-3-4-17-8-13-6-9(17)7-18-11-15-14-10(5-12)16(11)2/h6,8H,3-5,7,12H2,1-2H3
InChIKeyJNHCLQVOSXMREE-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.17
Rot. Bonds6

About [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine

[4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 66155150) has the molecular formula C11H18N6S and a molecular weight of 266.37 g/mol. Its IUPAC name is [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID66155150
Molecular FormulaC11H18N6S
Molecular Weight266.37 g/mol
Exact Mass266.13
IUPAC Name[4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
SMILESCCCn1cncc1CSc1nnc(CN)n1C
InChIInChI=1S/C11H18N6S/c1-3-4-17-8-13-6-9(17)7-18-11-15-14-10(5-12)16(11)2/h6,8H,3-5,7,12H2,1-2H3
InChIKeyJNHCLQVOSXMREE-UHFFFAOYSA-N
XLogP1.17
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-[(4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154904480
[4-methyl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313368
2-[4-methyl-5-[(3-propan-2-ylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]ethanamine;dihydrochloride
CID 154907589
(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methanamine;dihydrochloride
CID 75480383
[5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63313414
2-[(3-propylimidazol-4-yl)methylsulfanyl]phenol
CID 66153230
[5-[(1,5-dimethylpyrazol-4-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 154904918
2-fluoro-4-[(3-propylimidazol-4-yl)methylsulfanyl]aniline
CID 79141562
4-chloro-3-[(3-propylimidazol-4-yl)methylsulfanyl]aniline
CID 79133368
1-[4-[(3-propylimidazol-4-yl)methylsulfanyl]phenyl]ethanone
CID 66154590
[4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63315717
3-methoxy-4-[(3-propylimidazol-4-yl)methylsulfanyl]aniline
CID 79830262

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine (CID 66155150) is [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is CCCn1cncc1CSc1nnc(CN)n1C.
What is the InChIKey of [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is JNHCLQVOSXMREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6S/c1-3-4-17-8-13-6-9(17)7-18-11-15-14-10(5-12)16(11)2/h6,8H,3-5,7,12H2,1-2H3.
What are the key properties of [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine?
[4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 266.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[(3-propylimidazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 66155150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).