1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

C14H22N4OS — CID 43343269

IUPAC1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESOC(CNC1CC1)CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H22N4OS/c19-12(7-15-10-3-4-10)8-20-14-17-16-13(9-1-2-9)18(14)11-5-6-11/h9-12,15,19H,1-8H2
InChIKeyVVLWCJWOVKHXAP-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.70
Rot. Bonds8

About 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (PubChem CID 43343269) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
PubChem CID43343269
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol
SMILESOC(CNC1CC1)CSc1nnc(C2CC2)n1C1CC1
InChIInChI=1S/C14H22N4OS/c19-12(7-15-10-3-4-10)8-20-14-17-16-13(9-1-2-9)18(14)11-5-6-11/h9-12,15,19H,1-8H2
InChIKeyVVLWCJWOVKHXAP-UHFFFAOYSA-N
XLogP1.70
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol (CID 43343269) is 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is OC(CNC1CC1)CSc1nnc(C2CC2)n1C1CC1.
What is the InChIKey of 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
The InChIKey is VVLWCJWOVKHXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c19-12(7-15-10-3-4-10)8-20-14-17-16-13(9-1-2-9)18(14)11-5-6-11/h9-12,15,19H,1-8H2.
What are the key properties of 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol?
1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol has a molecular weight of 294.42 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 43343269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).