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

C8H16N4O — CID 106302438

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCCn1cnnc1CNCC(C)O
InChIInChI=1S/C8H16N4O/c1-3-12-6-10-11-8(12)5-9-4-7(2)13/h6-7,9,13H,3-5H2,1-2H3
InChIKeyBTKIGCZORHXGBO-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.23
Rot. Bonds5

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

1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (PubChem CID 106302438) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
PubChem CID106302438
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCCn1cnnc1CNCC(C)O
InChIInChI=1S/C8H16N4O/c1-3-12-6-10-11-8(12)5-9-4-7(2)13/h6-7,9,13H,3-5H2,1-2H3
InChIKeyBTKIGCZORHXGBO-UHFFFAOYSA-N
XLogP-0.23
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302792
1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302469
1-(2-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302505
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 106302975
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106302869
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106303059
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]hexan-1-amine
CID 106301790
N-carbamoyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]acetamide
CID 106302630
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 106302759
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-2-amine
CID 79256368

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (CID 106302438) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is CCn1cnnc1CNCC(C)O.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The InChIKey is BTKIGCZORHXGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-3-12-6-10-11-8(12)5-9-4-7(2)13/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106302438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).