N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide

C15H25N5O2 — CID 127949949

IUPACN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
SMILESCCC1(O)CCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1
InChIInChI=1S/C15H25N5O2/c1-2-15(22)8-9-19(10-15)14(21)17-13-16-11-20(18-13)12-6-4-3-5-7-12/h11-12,22H,2-10H2,1H3,(H,17,18,21)
InChIKeyARHYCRQYGZJUKR-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.16
Rot. Bonds3

About N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide

N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 127949949) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
PubChem CID127949949
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide
SMILESCCC1(O)CCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1
InChIInChI=1S/C15H25N5O2/c1-2-15(22)8-9-19(10-15)14(21)17-13-16-11-20(18-13)12-6-4-3-5-7-12/h11-12,22H,2-10H2,1H3,(H,17,18,21)
InChIKeyARHYCRQYGZJUKR-UHFFFAOYSA-N
XLogP2.16
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide (CID 127949949) is N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide is CCC1(O)CCN(C(=O)Nc2ncn(C3CCCCC3)n2)C1.
What is the InChIKey of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is ARHYCRQYGZJUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-2-15(22)8-9-19(10-15)14(21)17-13-16-11-20(18-13)12-6-4-3-5-7-12/h11-12,22H,2-10H2,1H3,(H,17,18,21).
What are the key properties of N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide?
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-ethyl-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 127949949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).