1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

C10H21N5O — CID 63332620

IUPAC1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCN(C)CC(O)CNCCc1nncn1C
InChIInChI=1S/C10H21N5O/c1-14(2)7-9(16)6-11-5-4-10-13-12-8-15(10)3/h8-9,11,16H,4-7H2,1-3H3
InChIKeyAQLACFPAIIQYRA-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.13
Rot. Bonds7

About 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol

1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (PubChem CID 63332620) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
PubChem CID63332620
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCN(C)CC(O)CNCCc1nncn1C
InChIInChI=1S/C10H21N5O/c1-14(2)7-9(16)6-11-5-4-10-13-12-8-15(10)3/h8-9,11,16H,4-7H2,1-3H3
InChIKeyAQLACFPAIIQYRA-UHFFFAOYSA-N
XLogP-1.13
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
2-(4-ethyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62692797
2-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 55201137
2-(4-methyl-4H-1,2,4-triazol-3-yl)morpholine
CID 62691768
1,1,1-Trifluoro-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899230
1,1,1-Trifluoro-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 63899846
1,1,1-Trifluoro-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 63902306
2-(4-methyl-1,2,4-triazol-3-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65804963
1,1,1-Trifluoro-3-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 80681844
3-[(2-Ethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105644758
1,1,1-Trifluoro-3-[(2-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 105644790
3-[(4,5-Dimethyl-1,2,4-triazol-3-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 105645041

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (CID 63332620) is 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is CN(C)CC(O)CNCCc1nncn1C.
What is the InChIKey of 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is AQLACFPAIIQYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-14(2)7-9(16)6-11-5-4-10-13-12-8-15(10)3/h8-9,11,16H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 227.31 g/mol, XLogP of -1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 63332620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).