N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

C8H10N4S — CID 17059912

IUPACN-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
SMILESCc1ccc(CNc2ncn[nH]2)s1
InChIInChI=1S/C8H10N4S/c1-6-2-3-7(13-6)4-9-8-10-5-11-12-8/h2-3,5H,4H2,1H3,(H2,9,10,11,12)
InChIKeyNMATXAZAGZPNMT-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.79
Rot. Bonds3

About N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine

N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine (PubChem CID 17059912) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
PubChem CID17059912
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine
SMILESCc1ccc(CNc2ncn[nH]2)s1
InChIInChI=1S/C8H10N4S/c1-6-2-3-7(13-6)4-9-8-10-5-11-12-8/h2-3,5H,4H2,1H3,(H2,9,10,11,12)
InChIKeyNMATXAZAGZPNMT-UHFFFAOYSA-N
XLogP1.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine (CID 17059912) is N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine is Cc1ccc(CNc2ncn[nH]2)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine?
The InChIKey is NMATXAZAGZPNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-6-2-3-7(13-6)4-9-8-10-5-11-12-8/h2-3,5H,4H2,1H3,(H2,9,10,11,12).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine?
N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine has a molecular weight of 194.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-1H-1,2,4-triazol-5-amine is sourced from PubChem (CID 17059912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).