(2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide

C16H27N5O — CID 56707869

IUPAC(2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](n2cc(CC3CCCCC3)nn2)CN1
InChIInChI=1S/C16H27N5O/c1-2-17-16(22)15-9-14(10-18-15)21-11-13(19-20-21)8-12-6-4-3-5-7-12/h11-12,14-15,18H,2-10H2,1H3,(H,17,22)/t14-,15-/m0/s1
InChIKeyOERNFVXXHCBCCR-GJZGRUSLSA-N
MW305.43 g/mol
LogP1.44
Rot. Bonds5

About (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide

(2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 56707869) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID56707869
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name(2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1C[C@H](n2cc(CC3CCCCC3)nn2)CN1
InChIInChI=1S/C16H27N5O/c1-2-17-16(22)15-9-14(10-18-15)21-11-13(19-20-21)8-12-6-4-3-5-7-12/h11-12,14-15,18H,2-10H2,1H3,(H,17,22)/t14-,15-/m0/s1
InChIKeyOERNFVXXHCBCCR-GJZGRUSLSA-N
XLogP1.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide (CID 56707869) is (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1C[C@H](n2cc(CC3CCCCC3)nn2)CN1.
What is the InChIKey of (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is OERNFVXXHCBCCR-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H27N5O/c1-2-17-16(22)15-9-14(10-18-15)21-11-13(19-20-21)8-12-6-4-3-5-7-12/h11-12,14-15,18H,2-10H2,1H3,(H,17,22)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide?
(2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[4-(cyclohexylmethyl)triazol-1-yl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56707869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).