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

C10H17N5O2 — CID 43603045

IUPACN-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCC1CNCCO1
InChIInChI=1S/C10H17N5O2/c16-10(1-3-15-8-12-7-14-15)13-6-9-5-11-2-4-17-9/h7-9,11H,1-6H2,(H,13,16)
InChIKeyWWBKBSBNTKLASZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.23
Rot. Bonds5

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

N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43603045) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID43603045
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
SMILESO=C(CCn1cncn1)NCC1CNCCO1
InChIInChI=1S/C10H17N5O2/c16-10(1-3-15-8-12-7-14-15)13-6-9-5-11-2-4-17-9/h7-9,11H,1-6H2,(H,13,16)
InChIKeyWWBKBSBNTKLASZ-UHFFFAOYSA-N
XLogP-1.23
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide (CID 43603045) is N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is O=C(CCn1cncn1)NCC1CNCCO1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is WWBKBSBNTKLASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c16-10(1-3-15-8-12-7-14-15)13-6-9-5-11-2-4-17-9/h7-9,11H,1-6H2,(H,13,16).
What are the key properties of N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide?
N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 239.28 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43603045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).