2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine

C11H22N4S — CID 62577858

IUPAC2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)Sc1nncn1C
InChIInChI=1S/C11H22N4S/c1-6-11(3,4)12-7-9(2)16-10-14-13-8-15(10)5/h8-9,12H,6-7H2,1-5H3
InChIKeyGJTGTTFLJMQSNA-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.07
Rot. Bonds6

About 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine

2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine (PubChem CID 62577858) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine
PubChem CID62577858
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine
SMILESCCC(C)(C)NCC(C)Sc1nncn1C
InChIInChI=1S/C11H22N4S/c1-6-11(3,4)12-7-9(2)16-10-14-13-8-15(10)5/h8-9,12H,6-7H2,1-5H3
InChIKeyGJTGTTFLJMQSNA-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine (CID 62577858) is 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine is CCC(C)(C)NCC(C)Sc1nncn1C.
What is the InChIKey of 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine?
The InChIKey is GJTGTTFLJMQSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-6-11(3,4)12-7-9(2)16-10-14-13-8-15(10)5/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine?
2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine is sourced from PubChem (CID 62577858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).