1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

C10H17N5S — CID 102793360

IUPAC1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(C3CCSC3)n2)C1
InChIInChI=1S/C10H17N5S/c11-8-1-3-15(5-8)10-12-9(13-14-10)7-2-4-16-6-7/h7-8H,1-6,11H2,(H,12,13,14)
InChIKeyMBBCECQYGCPRRC-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.56
Rot. Bonds2

About 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine

1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (PubChem CID 102793360) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
PubChem CID102793360
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(C3CCSC3)n2)C1
InChIInChI=1S/C10H17N5S/c11-8-1-3-15(5-8)10-12-9(13-14-10)7-2-4-16-6-7/h7-8H,1-6,11H2,(H,12,13,14)
InChIKeyMBBCECQYGCPRRC-UHFFFAOYSA-N
XLogP0.56
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
1-[5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793322
1-[5-(2,4,5-trimethyloxolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793222
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798903
1-[5-(1,1-dioxothian-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793327
1-(5-cyclooctyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798989
1-(5-cycloheptyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-3-amine
CID 102798873
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793330
1-[5-(1-methylcyclohexyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 106826728
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037

Frequently Asked Questions

What is the IUPAC name of 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The IUPAC name of 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine (CID 102793360) is 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is NC1CCN(c2n[nH]c(C3CCSC3)n2)C1.
What is the InChIKey of 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
The InChIKey is MBBCECQYGCPRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c11-8-1-3-15(5-8)10-12-9(13-14-10)7-2-4-16-6-7/h7-8H,1-6,11H2,(H,12,13,14).
What are the key properties of 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine?
1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine has a molecular weight of 239.35 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(thiolan-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine is sourced from PubChem (CID 102793360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).