N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide

C9H15N5O2 — CID 43595761

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cncn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C9H15N5O2/c1-13(7-2-10-3-8(7)15)9(16)4-14-6-11-5-12-14/h5-8,10,15H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyAZCAUHAKWHFQFF-HTQZYQBOSA-N
MW225.25 g/mol
LogP-1.93
Rot. Bonds3

About N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43595761) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43595761
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCN(C(=O)Cn1cncn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C9H15N5O2/c1-13(7-2-10-3-8(7)15)9(16)4-14-6-11-5-12-14/h5-8,10,15H,2-4H2,1H3/t7-,8-/m1/s1
InChIKeyAZCAUHAKWHFQFF-HTQZYQBOSA-N
XLogP-1.93
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide (CID 43595761) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is CN(C(=O)Cn1cncn1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is AZCAUHAKWHFQFF-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-13(7-2-10-3-8(7)15)9(16)4-14-6-11-5-12-14/h5-8,10,15H,2-4H2,1H3/t7-,8-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43595761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).