N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide

C17H29N5O — CID 129330987

IUPACN-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1Cc1ncnn1CC(C)C)C1CC1
InChIInChI=1S/C17H29N5O/c1-13(2)9-22-17(18-12-19-22)11-20-8-4-5-16(20)10-21(14(3)23)15-6-7-15/h12-13,15-16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyBNNGUARNMLWRGK-INIZCTEOSA-N
MW319.45 g/mol
LogP1.91
Rot. Bonds7

About N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129330987) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129330987
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCC(=O)N(C[C@@H]1CCCN1Cc1ncnn1CC(C)C)C1CC1
InChIInChI=1S/C17H29N5O/c1-13(2)9-22-17(18-12-19-22)11-20-8-4-5-16(20)10-21(14(3)23)15-6-7-15/h12-13,15-16H,4-11H2,1-3H3/t16-/m0/s1
InChIKeyBNNGUARNMLWRGK-INIZCTEOSA-N
XLogP1.91
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129330987) is N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide is CC(=O)N(C[C@@H]1CCCN1Cc1ncnn1CC(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is BNNGUARNMLWRGK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(2)9-22-17(18-12-19-22)11-20-8-4-5-16(20)10-21(14(3)23)15-6-7-15/h12-13,15-16H,4-11H2,1-3H3/t16-/m0/s1.
What are the key properties of N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[(2S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129330987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).