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

C10H17N5O2 — CID 43603047

IUPACN-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC1CNCCO1)n1cncn1
InChIInChI=1S/C10H17N5O2/c1-8(15-7-12-6-14-15)10(16)13-5-9-4-11-2-3-17-9/h6-9,11H,2-5H2,1H3,(H,13,16)
InChIKeyNGUWXDJYODZBCE-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.06
Rot. Bonds4

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

N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43603047) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43603047
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NCC1CNCCO1)n1cncn1
InChIInChI=1S/C10H17N5O2/c1-8(15-7-12-6-14-15)10(16)13-5-9-4-11-2-3-17-9/h6-9,11H,2-5H2,1H3,(H,13,16)
InChIKeyNGUWXDJYODZBCE-UHFFFAOYSA-N
XLogP-1.06
TPSA81.07 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 ≤ 5-1.06
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)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 43603047) is N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NCC1CNCCO1)n1cncn1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is NGUWXDJYODZBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-8(15-7-12-6-14-15)10(16)13-5-9-4-11-2-3-17-9/h6-9,11H,2-5H2,1H3,(H,13,16).
What are the key properties of N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 239.28 g/mol, XLogP of -1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43603047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).