4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide

C15H27N5O3 — CID 119052082

IUPAC4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCOCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](OC)C1
InChIInChI=1S/C15H27N5O3/c1-11(2)16-14(21)13-17-18-15(20(13)7-5-9-22-3)19-8-6-12(10-19)23-4/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyAVBSPAHABMSYSJ-GFCCVEGCSA-N
MW325.41 g/mol
LogP0.68
Rot. Bonds8

About 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide

4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 119052082) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID119052082
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC Name4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide
SMILESCOCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](OC)C1
InChIInChI=1S/C15H27N5O3/c1-11(2)16-14(21)13-17-18-15(20(13)7-5-9-22-3)19-8-6-12(10-19)23-4/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyAVBSPAHABMSYSJ-GFCCVEGCSA-N
XLogP0.68
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide (CID 119052082) is 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide is COCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](OC)C1.
What is the InChIKey of 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is AVBSPAHABMSYSJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-11(2)16-14(21)13-17-18-15(20(13)7-5-9-22-3)19-8-6-12(10-19)23-4/h11-12H,5-10H2,1-4H3,(H,16,21)/t12-/m1/s1.
What are the key properties of 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide?
4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 0.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 119052082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).