1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C13H24N4O3 — CID 106302880

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCn1cnnc1CNCC(O)COCC1CCCO1
InChIInChI=1S/C13H24N4O3/c1-2-17-10-15-16-13(17)7-14-6-11(18)8-19-9-12-4-3-5-20-12/h10-12,14,18H,2-9H2,1H3
InChIKeyANEZQEJYKVBDKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP-0.06
Rot. Bonds9

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 106302880) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID106302880
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCCn1cnnc1CNCC(O)COCC1CCCO1
InChIInChI=1S/C13H24N4O3/c1-2-17-10-15-16-13(17)7-14-6-11(18)8-19-9-12-4-3-5-20-12/h10-12,14,18H,2-9H2,1H3
InChIKeyANEZQEJYKVBDKV-UHFFFAOYSA-N
XLogP-0.06
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408822
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 95129786
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106372856
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 106302759
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61283235
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60633304
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 106302975
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302792
1-[(4-ethylcyclohexyl)amino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60970222
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 106302880) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is CCn1cnnc1CNCC(O)COCC1CCCO1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is ANEZQEJYKVBDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-2-17-10-15-16-13(17)7-14-6-11(18)8-19-9-12-4-3-5-20-12/h10-12,14,18H,2-9H2,1H3.
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 284.36 g/mol, XLogP of -0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 106302880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).