N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C18H29N5O2 — CID 91791171

IUPACN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)C2(N3CCCC3)CCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-22-15(12-24)20-21-16(22)13-10-14(11-13)19-17(25)18(6-2-3-7-18)23-8-4-5-9-23/h13-14,24H,2-12H2,1H3,(H,19,25)
InChIKeyWMGXERXOCVVLDO-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.08
Rot. Bonds5

About N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 91791171) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID91791171
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)C2(N3CCCC3)CCCC2)C1
InChIInChI=1S/C18H29N5O2/c1-22-15(12-24)20-21-16(22)13-10-14(11-13)19-17(25)18(6-2-3-7-18)23-8-4-5-9-23/h13-14,24H,2-12H2,1H3,(H,19,25)
InChIKeyWMGXERXOCVVLDO-UHFFFAOYSA-N
XLogP1.08
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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4-cyano-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxane-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 91791171) is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is Cn1c(CO)nnc1C1CC(NC(=O)C2(N3CCCC3)CCCC2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is WMGXERXOCVVLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22-15(12-24)20-21-16(22)13-10-14(11-13)19-17(25)18(6-2-3-7-18)23-8-4-5-9-23/h13-14,24H,2-12H2,1H3,(H,19,25).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 91791171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).