N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

C17H29N5O — CID 129344461

IUPACN-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCCn1c(C)nnc1CN1CCC[C@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C17H29N5O/c1-4-9-21-13(2)18-19-17(21)12-20-10-5-6-16(20)11-22(14(3)23)15-7-8-15/h15-16H,4-12H2,1-3H3/t16-/m0/s1
InChIKeyZMCPMBWBBRCTMJ-INIZCTEOSA-N
MW319.45 g/mol
LogP1.97
Rot. Bonds7

About N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129344461) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID129344461
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCCn1c(C)nnc1CN1CCC[C@H]1CN(C(C)=O)C1CC1
InChIInChI=1S/C17H29N5O/c1-4-9-21-13(2)18-19-17(21)12-20-10-5-6-16(20)11-22(14(3)23)15-7-8-15/h15-16H,4-12H2,1-3H3/t16-/m0/s1
InChIKeyZMCPMBWBBRCTMJ-INIZCTEOSA-N
XLogP1.97
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 ≤ 51.97
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-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide (CID 129344461) is N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is CCCn1c(C)nnc1CN1CCC[C@H]1CN(C(C)=O)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is ZMCPMBWBBRCTMJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N5O/c1-4-9-21-13(2)18-19-17(21)12-20-10-5-6-16(20)11-22(14(3)23)15-7-8-15/h15-16H,4-12H2,1-3H3/t16-/m0/s1.
What are the key properties of N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 1.97, 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-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129344461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).