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

C10H13N5S — CID 79260449

IUPAC2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine
SMILESCc1nnc(SCc2cc(N)ccn2)n1C
InChIInChI=1S/C10H13N5S/c1-7-13-14-10(15(7)2)16-6-9-5-8(11)3-4-12-9/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyOBMYYMSRWCNFHX-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.39
Rot. Bonds3

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

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine (PubChem CID 79260449) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine
PubChem CID79260449
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine
SMILESCc1nnc(SCc2cc(N)ccn2)n1C
InChIInChI=1S/C10H13N5S/c1-7-13-14-10(15(7)2)16-6-9-5-8(11)3-4-12-9/h3-5H,6H2,1-2H3,(H2,11,12)
InChIKeyOBMYYMSRWCNFHX-UHFFFAOYSA-N
XLogP1.39
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenol
CID 63537768
2-[(5-methylpyrimidin-2-yl)sulfanylmethyl]pyridin-4-amine
CID 79259807
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzoxazol-5-amine
CID 79971087
2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
CID 79259714
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methylaniline
CID 63537770
[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232663
3-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]aniline
CID 55223020
3-[(3-fluorophenyl)methylsulfanyl]-4,5-dimethyl-1,2,4-triazole
CID 6464901
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 63486421
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]aniline
CID 63537729
2-(pyrimidin-4-ylsulfanylmethyl)pyridin-4-amine
CID 79259350
N-(3-aminophenyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 55223212

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine (CID 79260449) is 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine is Cc1nnc(SCc2cc(N)ccn2)n1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine?
The InChIKey is OBMYYMSRWCNFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-7-13-14-10(15(7)2)16-6-9-5-8(11)3-4-12-9/h3-5H,6H2,1-2H3,(H2,11,12).
What are the key properties of 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine?
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine has a molecular weight of 235.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridin-4-amine is sourced from PubChem (CID 79260449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).