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

C10H18N4S — CID 104603603

IUPACN-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)CSc1ncnn1C
InChIInChI=1S/C10H18N4S/c1-8(5-11-9-3-4-9)6-15-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeySYKDQICOKBHXJZ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.30
Rot. Bonds6

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

N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine (PubChem CID 104603603) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine
PubChem CID104603603
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)CSc1ncnn1C
InChIInChI=1S/C10H18N4S/c1-8(5-11-9-3-4-9)6-15-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3
InChIKeySYKDQICOKBHXJZ-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine (CID 104603603) is N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine is CC(CNC1CC1)CSc1ncnn1C.
What is the InChIKey of N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
The InChIKey is SYKDQICOKBHXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(5-11-9-3-4-9)6-15-10-12-7-13-14(10)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine?
N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine has a molecular weight of 226.35 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]cyclopropanamine is sourced from PubChem (CID 104603603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).