5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine

C9H11N5S — CID 79547929

IUPAC5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine
SMILESNc1nnn(Cc2cscn2)c1C1CC1
InChIInChI=1S/C9H11N5S/c10-9-8(6-1-2-6)14(13-12-9)3-7-4-15-5-11-7/h4-6H,1-3,10H2
InChIKeyWRPJMBKHBVPSQW-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.24
Rot. Bonds3

About 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine

5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine (PubChem CID 79547929) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine
PubChem CID79547929
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine
SMILESNc1nnn(Cc2cscn2)c1C1CC1
InChIInChI=1S/C9H11N5S/c10-9-8(6-1-2-6)14(13-12-9)3-7-4-15-5-11-7/h4-6H,1-3,10H2
InChIKeyWRPJMBKHBVPSQW-UHFFFAOYSA-N
XLogP1.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine (CID 79547929) is 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine is Nc1nnn(Cc2cscn2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine?
The InChIKey is WRPJMBKHBVPSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c10-9-8(6-1-2-6)14(13-12-9)3-7-4-15-5-11-7/h4-6H,1-3,10H2.
What are the key properties of 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine?
5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine has a molecular weight of 221.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(1,3-thiazol-4-ylmethyl)triazol-4-amine is sourced from PubChem (CID 79547929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).