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

C10H21N5O — CID 106302792

IUPAC1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCCn1cnnc1CNCC(O)CN(C)C
InChIInChI=1S/C10H21N5O/c1-4-15-8-12-13-10(15)6-11-5-9(16)7-14(2)3/h8-9,11,16H,4-7H2,1-3H3
InChIKeyPERNOYUELMSFCP-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.69
Rot. Bonds7

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

1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (PubChem CID 106302792) has the molecular formula C10H21N5O and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
PubChem CID106302792
Molecular FormulaC10H21N5O
Molecular Weight227.31 g/mol
Exact Mass227.17
IUPAC Name1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
SMILESCCn1cnnc1CNCC(O)CN(C)C
InChIInChI=1S/C10H21N5O/c1-4-15-8-12-13-10(15)6-11-5-9(16)7-14(2)3/h8-9,11,16H,4-7H2,1-3H3
InChIKeyPERNOYUELMSFCP-UHFFFAOYSA-N
XLogP-0.69
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 ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 106302975
1-(4-chlorophenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]ethanol
CID 106302469
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 106303059
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-(thiophen-2-ylmethoxy)propan-2-ol
CID 106302759
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106302880
4-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]butan-1-ol
CID 106302869
2-[[(4-ethyl-1,2,4-triazol-3-yl)methylamino]methyl]-4-fluoro-N-methyl-N-[(2R)-2-methylbutyl]aniline
CID 95631800
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
2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106302763

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol (CID 106302792) is 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is CCn1cnnc1CNCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
The InChIKey is PERNOYUELMSFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5O/c1-4-15-8-12-13-10(15)6-11-5-9(16)7-14(2)3/h8-9,11,16H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol?
1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol has a molecular weight of 227.31 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 106302792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).