(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol

C7H12N4OS — CID 6917258

IUPAC(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol
SMILESNc1nc(S[C@@H]2CCCC2O)n[nH]1
InChIInChI=1S/C7H12N4OS/c8-6-9-7(11-10-6)13-5-3-1-2-4(5)12/h4-5,12H,1-3H2,(H3,8,9,10,11)/t4?,5-/m1/s1
InChIKeyFXEKHQASWPQBBO-BRJRFNKRSA-N
MW200.27 g/mol
LogP0.39
Rot. Bonds2

About (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol

(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol (PubChem CID 6917258) has the molecular formula C7H12N4OS and a molecular weight of 200.27 g/mol. Its IUPAC name is (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol
PubChem CID6917258
Molecular FormulaC7H12N4OS
Molecular Weight200.27 g/mol
Exact Mass200.07
IUPAC Name(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol
SMILESNc1nc(S[C@@H]2CCCC2O)n[nH]1
InChIInChI=1S/C7H12N4OS/c8-6-9-7(11-10-6)13-5-3-1-2-4(5)12/h4-5,12H,1-3H2,(H3,8,9,10,11)/t4?,5-/m1/s1
InChIKeyFXEKHQASWPQBBO-BRJRFNKRSA-N
XLogP0.39
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol?
The IUPAC name of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol (CID 6917258) is (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol.
What is the SMILES notation for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol?
The canonical SMILES for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol is Nc1nc(S[C@@H]2CCCC2O)n[nH]1.
What is the InChIKey of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol?
The InChIKey is FXEKHQASWPQBBO-BRJRFNKRSA-N. The full InChI is InChI=1S/C7H12N4OS/c8-6-9-7(11-10-6)13-5-3-1-2-4(5)12/h4-5,12H,1-3H2,(H3,8,9,10,11)/t4?,5-/m1/s1.
What are the key properties of (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol?
(2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol has a molecular weight of 200.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 6917258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).