4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

C13H20N6O — CID 71928074

IUPAC4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(Cc3ncc[nH]3)CCO2)n1
InChIInChI=1S/C13H20N6O/c1-9(2)12-16-13(18-17-12)10-7-19(5-6-20-10)8-11-14-3-4-15-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyXVZDTNQQHVTCKU-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.22
Rot. Bonds4

About 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine

4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (PubChem CID 71928074) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
PubChem CID71928074
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine
SMILESCC(C)c1n[nH]c(C2CN(Cc3ncc[nH]3)CCO2)n1
InChIInChI=1S/C13H20N6O/c1-9(2)12-16-13(18-17-12)10-7-19(5-6-20-10)8-11-14-3-4-15-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,15)(H,16,17,18)
InChIKeyXVZDTNQQHVTCKU-UHFFFAOYSA-N
XLogP1.22
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine with MolForge

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Launch Full Analysis

Related Compounds

4-imidazol-1-yl-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 71872794
4-(2-methylimidazol-1-yl)-1-[2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]butan-1-one
CID 71872806
4-(1H-imidazol-2-ylmethyl)-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928050
4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928118
2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-4-(1H-imidazol-2-ylmethyl)morpholine
CID 72122548
3-cyclopropyl-5-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-1H-1,2,4-triazole
CID 97881590
4-({5-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
CID 70730570
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 71878566
1-[2-(3-tert-butyl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 72123284
1H-imidazol-2-yl(1H-1,2,4-triazol-5-yl)methanol
CID 91253634
1-ethyl-2-methylimidazole;2-(1-methoxyethyl)-1H-imidazole
CID 158209948
5-[2-[1-(2-methoxyethyl)imidazol-2-yl]ethyl]-1H-1,2,4-triazole
CID 173073541

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine (CID 71928074) is 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is CC(C)c1n[nH]c(C2CN(Cc3ncc[nH]3)CCO2)n1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
The InChIKey is XVZDTNQQHVTCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-9(2)12-16-13(18-17-12)10-7-19(5-6-20-10)8-11-14-3-4-15-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,15)(H,16,17,18).
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine?
4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine has a molecular weight of 276.34 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholine is sourced from PubChem (CID 71928074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).