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

C10H16N4O2 — CID 71896695

IUPACN-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCC1CCOC1
InChIInChI=1S/C10H16N4O2/c15-10(1-3-14-8-11-7-13-14)12-5-9-2-4-16-6-9/h7-9H,1-6H2,(H,12,15)
InChIKeyAXXOOLZQYUMVLR-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.18
Rot. Bonds5

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

N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 71896695) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID71896695
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCC1CCOC1
InChIInChI=1S/C10H16N4O2/c15-10(1-3-14-8-11-7-13-14)12-5-9-2-4-16-6-9/h7-9H,1-6H2,(H,12,15)
InChIKeyAXXOOLZQYUMVLR-UHFFFAOYSA-N
XLogP-0.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 71896695) is N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCC1CCOC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is AXXOOLZQYUMVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-10(1-3-14-8-11-7-13-14)12-5-9-2-4-16-6-9/h7-9H,1-6H2,(H,12,15).
What are the key properties of N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 224.26 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 71896695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).