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

C9H18N4O — CID 63332560

IUPAC2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCn1cnnc1CCNCC(C)(C)O
InChIInChI=1S/C9H18N4O/c1-9(2,14)6-10-5-4-8-12-11-7-13(8)3/h7,10,14H,4-6H2,1-3H3
InChIKeyNFKDKSKSAWGQIK-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.28
Rot. Bonds5

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

2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (PubChem CID 63332560) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
PubChem CID63332560
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
SMILESCn1cnnc1CCNCC(C)(C)O
InChIInChI=1S/C9H18N4O/c1-9(2,14)6-10-5-4-8-12-11-7-13(8)3/h7,10,14H,4-6H2,1-3H3
InChIKeyNFKDKSKSAWGQIK-UHFFFAOYSA-N
XLogP-0.28
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butan-2-ol
CID 79355147
2-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 62117507
(2R)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol
CID 106932117
N-[(4-tert-butylphenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 63328712
N',N'-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 63332293
N-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 63332608
ethyl 3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanoate
CID 63332702
N'-hydroxy-2,2-dimethyl-6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]hexanimidamide
CID 106711154
3-hydroxy-3-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 66002045
2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanesulfonamide
CID 114385025
2,2-dimethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63696017
2-amino-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanamide
CID 103251288

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol (CID 63332560) is 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is Cn1cnnc1CCNCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
The InChIKey is NFKDKSKSAWGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-9(2,14)6-10-5-4-8-12-11-7-13(8)3/h7,10,14H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol?
2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol has a molecular weight of 198.27 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 63332560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).