(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine

C8H10N4S — CID 65363289

IUPAC(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1cc(C(N)c2ncn[nH]2)cs1
InChIInChI=1S/C8H10N4S/c1-5-2-6(3-13-5)7(9)8-10-4-11-12-8/h2-4,7H,9H2,1H3,(H,10,11,12)
InChIKeyYVCSSVJTOYMNLC-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.22
Rot. Bonds2

About (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine

(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65363289) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65363289
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1cc(C(N)c2ncn[nH]2)cs1
InChIInChI=1S/C8H10N4S/c1-5-2-6(3-13-5)7(9)8-10-4-11-12-8/h2-4,7H,9H2,1H3,(H,10,11,12)
InChIKeyYVCSSVJTOYMNLC-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 65363289) is (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine is Cc1cc(C(N)c2ncn[nH]2)cs1.
What is the InChIKey of (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is YVCSSVJTOYMNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-5-2-6(3-13-5)7(9)8-10-4-11-12-8/h2-4,7H,9H2,1H3,(H,10,11,12).
What are the key properties of (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine?
(5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 194.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65363289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).