N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C12H22N4OS — CID 1282457

IUPACN,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1ncn[nH]1
InChIInChI=1S/C12H22N4OS/c1-9(2)5-16(6-10(3)4)11(17)7-18-12-13-8-14-15-12/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyUMQNJBJKRUFMGP-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.04
Rot. Bonds7

About N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 1282457) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID1282457
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC NameN,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCC(C)CN(CC(C)C)C(=O)CSc1ncn[nH]1
InChIInChI=1S/C12H22N4OS/c1-9(2)5-16(6-10(3)4)11(17)7-18-12-13-8-14-15-12/h8-10H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyUMQNJBJKRUFMGP-UHFFFAOYSA-N
XLogP2.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 1282457) is N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CC(C)CN(CC(C)C)C(=O)CSc1ncn[nH]1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is UMQNJBJKRUFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-9(2)5-16(6-10(3)4)11(17)7-18-12-13-8-14-15-12/h8-10H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 270.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 1282457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).