[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine

C11H15N5S — CID 82221862

IUPAC[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1nc(-n2nnc(CN)c2C2CC2)sc1C
InChIInChI=1S/C11H15N5S/c1-6-7(2)17-11(13-6)16-10(8-3-4-8)9(5-12)14-15-16/h8H,3-5,12H2,1-2H3
InChIKeyDTURWDOYNNXQDX-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.68
Rot. Bonds3

About [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine

[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82221862) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82221862
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1nc(-n2nnc(CN)c2C2CC2)sc1C
InChIInChI=1S/C11H15N5S/c1-6-7(2)17-11(13-6)16-10(8-3-4-8)9(5-12)14-15-16/h8H,3-5,12H2,1-2H3
InChIKeyDTURWDOYNNXQDX-UHFFFAOYSA-N
XLogP1.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine (CID 82221862) is [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine is Cc1nc(-n2nnc(CN)c2C2CC2)sc1C.
What is the InChIKey of [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is DTURWDOYNNXQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-6-7(2)17-11(13-6)16-10(8-3-4-8)9(5-12)14-15-16/h8H,3-5,12H2,1-2H3.
What are the key properties of [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine?
[5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 249.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(4,5-dimethyl-1,3-thiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82221862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).