1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol

C8H14N4OS — CID 43166324

IUPAC1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
SMILESOC(CNC1CC1)CSc1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c13-7(3-9-6-1-2-6)4-14-8-10-5-11-12-8/h5-7,9,13H,1-4H2,(H,10,11,12)
InChIKeyBJXIXJFCRVYEFJ-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.01
Rot. Bonds6

About 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol

1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol (PubChem CID 43166324) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
PubChem CID43166324
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
SMILESOC(CNC1CC1)CSc1ncn[nH]1
InChIInChI=1S/C8H14N4OS/c13-7(3-9-6-1-2-6)4-14-8-10-5-11-12-8/h5-7,9,13H,1-4H2,(H,10,11,12)
InChIKeyBJXIXJFCRVYEFJ-UHFFFAOYSA-N
XLogP0.01
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol (CID 43166324) is 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol is OC(CNC1CC1)CSc1ncn[nH]1.
What is the InChIKey of 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
The InChIKey is BJXIXJFCRVYEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c13-7(3-9-6-1-2-6)4-14-8-10-5-11-12-8/h5-7,9,13H,1-4H2,(H,10,11,12).
What are the key properties of 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol?
1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol has a molecular weight of 214.29 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 43166324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).