1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine

C12H14N6S — CID 1477793

IUPAC1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1Cc1cccs1
InChIInChI=1S/C12H14N6S/c1-8-15-16-12(10-6-14-17(2)11(10)13)18(8)7-9-4-3-5-19-9/h3-6H,7,13H2,1-2H3
InChIKeyVXXIPPNYCQXBFO-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.68
Rot. Bonds3

About 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine

1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine (PubChem CID 1477793) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
PubChem CID1477793
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCc1nnc(-c2cnn(C)c2N)n1Cc1cccs1
InChIInChI=1S/C12H14N6S/c1-8-15-16-12(10-6-14-17(2)11(10)13)18(8)7-9-4-3-5-19-9/h3-6H,7,13H2,1-2H3
InChIKeyVXXIPPNYCQXBFO-UHFFFAOYSA-N
XLogP1.68
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine (CID 1477793) is 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine is Cc1nnc(-c2cnn(C)c2N)n1Cc1cccs1.
What is the InChIKey of 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
The InChIKey is VXXIPPNYCQXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-8-15-16-12(10-6-14-17(2)11(10)13)18(8)7-9-4-3-5-19-9/h3-6H,7,13H2,1-2H3.
What are the key properties of 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine?
1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine has a molecular weight of 274.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[5-methyl-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazol-5-amine is sourced from PubChem (CID 1477793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).