2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol

C11H18N4OS — CID 63314390

IUPAC2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol
SMILESNCc1nnc(SC2CCCC2O)n1C1CC1
InChIInChI=1S/C11H18N4OS/c12-6-10-13-14-11(15(10)7-4-5-7)17-9-3-1-2-8(9)16/h7-9,16H,1-6,12H2
InChIKeySAEJEMKSCCXQRC-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.08
Rot. Bonds4

About 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol

2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol (PubChem CID 63314390) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol
PubChem CID63314390
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol
SMILESNCc1nnc(SC2CCCC2O)n1C1CC1
InChIInChI=1S/C11H18N4OS/c12-6-10-13-14-11(15(10)7-4-5-7)17-9-3-1-2-8(9)16/h7-9,16H,1-6,12H2
InChIKeySAEJEMKSCCXQRC-UHFFFAOYSA-N
XLogP1.08
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol?
The IUPAC name of 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol (CID 63314390) is 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol is NCc1nnc(SC2CCCC2O)n1C1CC1.
What is the InChIKey of 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol?
The InChIKey is SAEJEMKSCCXQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c12-6-10-13-14-11(15(10)7-4-5-7)17-9-3-1-2-8(9)16/h7-9,16H,1-6,12H2.
What are the key properties of 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol?
2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol has a molecular weight of 254.36 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-4-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]cyclopentan-1-ol is sourced from PubChem (CID 63314390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).