4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one

C10H15N3O2S — CID 102735736

IUPAC4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(S[C@@H]2CCC[C@H]2O)n1C1CC1
InChIInChI=1S/C10H15N3O2S/c14-7-2-1-3-8(7)16-10-12-11-9(15)13(10)6-4-5-6/h6-8,14H,1-5H2,(H,11,15)/t7-,8-/m1/s1
InChIKeyFWPDOQKDYFSANC-HTQZYQBOSA-N
MW241.32 g/mol
LogP0.91
Rot. Bonds3

About 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one (PubChem CID 102735736) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
PubChem CID102735736
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(S[C@@H]2CCC[C@H]2O)n1C1CC1
InChIInChI=1S/C10H15N3O2S/c14-7-2-1-3-8(7)16-10-12-11-9(15)13(10)6-4-5-6/h6-8,14H,1-5H2,(H,11,15)/t7-,8-/m1/s1
InChIKeyFWPDOQKDYFSANC-HTQZYQBOSA-N
XLogP0.91
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(1R,2R)-2-hydroxycyclohexyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 102732812
3-[(1S,2S)-2-hydroxycyclopentyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 102735739
3-[(1R,2S)-2-hydroxycyclopentyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 94865656
4-ethyl-3-(2-hydroxycyclohexyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 60715034
4-cyclopropyl-3-(3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 60709506
2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol
CID 63314390
3-(2-cyclopentyl-2-oxoethyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 115648676
3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107786248
2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypropanimidamide
CID 76975693
3-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 64634140
4-cyclopropyl-3-(piperidin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 62882916
3-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 9346460

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one (CID 102735736) is 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one is O=c1[nH]nc(S[C@@H]2CCC[C@H]2O)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
The InChIKey is FWPDOQKDYFSANC-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15N3O2S/c14-7-2-1-3-8(7)16-10-12-11-9(15)13(10)6-4-5-6/h6-8,14H,1-5H2,(H,11,15)/t7-,8-/m1/s1.
What are the key properties of 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one has a molecular weight of 241.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 102735736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).