N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine

C15H26N4S — CID 62579197

IUPACN-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H26N4S/c1-10(2)8-16-9-11(3)20-15-18-17-14(12-4-5-12)19(15)13-6-7-13/h10-13,16H,4-9H2,1-3H3
InChIKeyJUYYIDZRCZVUGR-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.22
Rot. Bonds8

About N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine

N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine (PubChem CID 62579197) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine
PubChem CID62579197
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC(C)Sc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C15H26N4S/c1-10(2)8-16-9-11(3)20-15-18-17-14(12-4-5-12)19(15)13-6-7-13/h10-13,16H,4-9H2,1-3H3
InChIKeyJUYYIDZRCZVUGR-UHFFFAOYSA-N
XLogP3.22
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine (CID 62579197) is N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine is CC(C)CNCC(C)Sc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine?
The InChIKey is JUYYIDZRCZVUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-10(2)8-16-9-11(3)20-15-18-17-14(12-4-5-12)19(15)13-6-7-13/h10-13,16H,4-9H2,1-3H3.
What are the key properties of N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine?
N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine has a molecular weight of 294.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62579197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).