(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine

C11H16N4S — CID 115285740

IUPAC(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
SMILESCc1nnc(C(N)c2cccs2)n1C(C)C
InChIInChI=1S/C11H16N4S/c1-7(2)15-8(3)13-14-11(15)10(12)9-5-4-6-16-9/h4-7,10H,12H2,1-3H3
InChIKeyURUZVJVUCHNEGJ-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.28
Rot. Bonds3

About (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine

(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine (PubChem CID 115285740) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
PubChem CID115285740
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
SMILESCc1nnc(C(N)c2cccs2)n1C(C)C
InChIInChI=1S/C11H16N4S/c1-7(2)15-8(3)13-14-11(15)10(12)9-5-4-6-16-9/h4-7,10H,12H2,1-3H3
InChIKeyURUZVJVUCHNEGJ-UHFFFAOYSA-N
XLogP2.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methylpyridazin-3-yl)-thiophen-2-ylmethanamine
CID 131057763
(1S)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-phenylpropan-1-amine
CID 104983678
3-methyl-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)butan-1-amine
CID 61376856
dithiophen-2-ylmethanamine;hydroiodide
CID 175262247
2-methoxy-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 81081213
(1R)-1-(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-3-methylsulfanylpropan-1-amine
CID 104910664
(1,3-dimethylpyrazol-4-yl)-thiophen-2-ylmethanamine
CID 102803051
(2,5-dimethylthiophen-3-yl)-thiophen-2-ylmethanamine
CID 43464516
2-propan-2-ylthiophene
CID 178128598
(4-methyl-3-pyridinyl)-thiophen-2-ylmethanamine
CID 66274388
(4-cyclohexyl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine
CID 113278965
(3-methylimidazo[4,5-b]pyridin-2-yl)-thiophen-2-ylmethanamine
CID 115284655

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
The IUPAC name of (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine (CID 115285740) is (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
The canonical SMILES for (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine is Cc1nnc(C(N)c2cccs2)n1C(C)C.
What is the InChIKey of (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
The InChIKey is URUZVJVUCHNEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(2)15-8(3)13-14-11(15)10(12)9-5-4-6-16-9/h4-7,10H,12H2,1-3H3.
What are the key properties of (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine?
(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine has a molecular weight of 236.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 115285740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).