1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

C8H10N4S — CID 60977551

IUPAC1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1csc(CNCc2ncn[nH]2)c1
InChIInChI=1S/C8H10N4S/c1-2-7(13-3-1)4-9-5-8-10-6-11-12-8/h1-3,6,9H,4-5H2,(H,10,11,12)
InChIKeyNGZUEBZCSLBIPL-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.16
Rot. Bonds4

About 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine

1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (PubChem CID 60977551) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
PubChem CID60977551
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
SMILESc1csc(CNCc2ncn[nH]2)c1
InChIInChI=1S/C8H10N4S/c1-2-7(13-3-1)4-9-5-8-10-6-11-12-8/h1-3,6,9H,4-5H2,(H,10,11,12)
InChIKeyNGZUEBZCSLBIPL-UHFFFAOYSA-N
XLogP1.16
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The IUPAC name of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine (CID 60977551) is 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is c1csc(CNCc2ncn[nH]2)c1.
What is the InChIKey of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
The InChIKey is NGZUEBZCSLBIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-2-7(13-3-1)4-9-5-8-10-6-11-12-8/h1-3,6,9H,4-5H2,(H,10,11,12).
What are the key properties of 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine?
1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine has a molecular weight of 194.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine is sourced from PubChem (CID 60977551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).