N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide

C9H15N5O — CID 43603601

IUPACN-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCNC1
InChIInChI=1S/C9H15N5O/c15-9(13-8-1-3-10-5-8)2-4-14-7-11-6-12-14/h6-8,10H,1-5H2,(H,13,15)
InChIKeyXORNIZMOBDMSLD-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.85
Rot. Bonds4

About N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide

N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43603601) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID43603601
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC NameN-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NC1CCNC1
InChIInChI=1S/C9H15N5O/c15-9(13-8-1-3-10-5-8)2-4-14-7-11-6-12-14/h6-8,10H,1-5H2,(H,13,15)
InChIKeyXORNIZMOBDMSLD-UHFFFAOYSA-N
XLogP-0.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide (CID 43603601) is N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is XORNIZMOBDMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c15-9(13-8-1-3-10-5-8)2-4-14-7-11-6-12-14/h6-8,10H,1-5H2,(H,13,15).
What are the key properties of N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide?
N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 209.25 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43603601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).