(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol

C10H19N5O — CID 104912666

IUPAC(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
SMILESCCNc1nnc([C@@H]2C[C@H](O)CN2)n1CC
InChIInChI=1S/C10H19N5O/c1-3-11-10-14-13-9(15(10)4-2)8-5-7(16)6-12-8/h7-8,12,16H,3-6H2,1-2H3,(H,11,14)/t7-,8-/m0/s1
InChIKeyHNYAWORFZDZRMH-YUMQZZPRSA-N
MW225.30 g/mol
LogP0.13
Rot. Bonds4

About (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol

(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol (PubChem CID 104912666) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
PubChem CID104912666
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
SMILESCCNc1nnc([C@@H]2C[C@H](O)CN2)n1CC
InChIInChI=1S/C10H19N5O/c1-3-11-10-14-13-9(15(10)4-2)8-5-7(16)6-12-8/h7-8,12,16H,3-6H2,1-2H3,(H,11,14)/t7-,8-/m0/s1
InChIKeyHNYAWORFZDZRMH-YUMQZZPRSA-N
XLogP0.13
TPSA75.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol?
The IUPAC name of (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol (CID 104912666) is (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol?
The canonical SMILES for (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol is CCNc1nnc([C@@H]2C[C@H](O)CN2)n1CC.
What is the InChIKey of (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol?
The InChIKey is HNYAWORFZDZRMH-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-11-10-14-13-9(15(10)4-2)8-5-7(16)6-12-8/h7-8,12,16H,3-6H2,1-2H3,(H,11,14)/t7-,8-/m0/s1.
What are the key properties of (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol?
(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol has a molecular weight of 225.30 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol is sourced from PubChem (CID 104912666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).