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

C11H22N4S — CID 62578294

IUPACN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Sc1nncn1C
InChIInChI=1S/C11H22N4S/c1-5-6-9(2)12-7-10(3)16-11-14-13-8-15(11)4/h8-10,12H,5-7H2,1-4H3
InChIKeyZECFVGNPKFWBQN-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.07
Rot. Bonds7

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

N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine (PubChem CID 62578294) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine
PubChem CID62578294
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC NameN-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)Sc1nncn1C
InChIInChI=1S/C11H22N4S/c1-5-6-9(2)12-7-10(3)16-11-14-13-8-15(11)4/h8-10,12H,5-7H2,1-4H3
InChIKeyZECFVGNPKFWBQN-UHFFFAOYSA-N
XLogP2.07
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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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Related Compounds

4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpentan-2-amine
CID 64702873
2-methyl-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]butan-2-amine
CID 62577858
6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylhexan-2-amine
CID 64650120
N-[(2S)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]benzenesulfonamide
CID 2402124
2-methyl-2-(methylamino)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]pentan-1-ol
CID 64806820
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]pentan-2-amine
CID 115725048
3-ethylsulfanyl-4-methyl-1,2,4-triazole
CID 5151328
methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)butanoate
CID 63033968
2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 60626094
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoic acid
CID 7326586
3,3-dimethyl-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylbutan-2-amine
CID 64648159
2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 43530547

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine?
The IUPAC name of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine (CID 62578294) is N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine.
What is the SMILES notation for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine?
The canonical SMILES for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine is CCCC(C)NCC(C)Sc1nncn1C.
What is the InChIKey of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine?
The InChIKey is ZECFVGNPKFWBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-5-6-9(2)12-7-10(3)16-11-14-13-8-15(11)4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine?
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine has a molecular weight of 242.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]pentan-2-amine is sourced from PubChem (CID 62578294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).