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

C10H17N5O2 — CID 43595765

IUPACN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(C(=O)CCn1cncn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H17N5O2/c1-14(8-4-11-5-9(8)16)10(17)2-3-15-7-12-6-13-15/h6-9,11,16H,2-5H2,1H3/t8-,9-/m1/s1
InChIKeyVQVNOIFNXZBMPE-RKDXNWHRSA-N
MW239.28 g/mol
LogP-1.54
Rot. Bonds4

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

N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43595765) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID43595765
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCN(C(=O)CCn1cncn1)[C@@H]1CNC[C@H]1O
InChIInChI=1S/C10H17N5O2/c1-14(8-4-11-5-9(8)16)10(17)2-3-15-7-12-6-13-15/h6-9,11,16H,2-5H2,1H3/t8-,9-/m1/s1
InChIKeyVQVNOIFNXZBMPE-RKDXNWHRSA-N
XLogP-1.54
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.54
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-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 43595765) is N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide is CN(C(=O)CCn1cncn1)[C@@H]1CNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VQVNOIFNXZBMPE-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-14(8-4-11-5-9(8)16)10(17)2-3-15-7-12-6-13-15/h6-9,11,16H,2-5H2,1H3/t8-,9-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide?
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 239.28 g/mol, XLogP of -1.54, 4 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-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43595765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).