5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol

C10H20N4O — CID 106131673

IUPAC5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol
SMILESCc1nnc(CNCCCC(C)O)n1C
InChIInChI=1S/C10H20N4O/c1-8(15)5-4-6-11-7-10-13-12-9(2)14(10)3/h8,11,15H,4-7H2,1-3H3
InChIKeyZAIDVYBCFFAEEQ-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.37
Rot. Bonds6

About 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol

5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol (PubChem CID 106131673) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol
PubChem CID106131673
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol
SMILESCc1nnc(CNCCCC(C)O)n1C
InChIInChI=1S/C10H20N4O/c1-8(15)5-4-6-11-7-10-13-12-9(2)14(10)3/h8,11,15H,4-7H2,1-3H3
InChIKeyZAIDVYBCFFAEEQ-UHFFFAOYSA-N
XLogP0.37
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.37
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

5-[(5-chloro-1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 106130407
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6-methylsulfanylhexan-1-amine
CID 114125708
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]propane-1,2-diol
CID 66168670
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905487
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylethanamine
CID 63966644
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 113463774
5-[(4-bromo-1,3-dimethylpyrazol-5-yl)methylamino]pentan-2-ol
CID 107302795
1-cyclopropyl-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 43524641
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-phenoxypropan-1-amine
CID 60975960
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutan-1-amine
CID 115756634
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616964
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726

Frequently Asked Questions

What is the IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol?
The IUPAC name of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol (CID 106131673) is 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol?
The canonical SMILES for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol is Cc1nnc(CNCCCC(C)O)n1C.
What is the InChIKey of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol?
The InChIKey is ZAIDVYBCFFAEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(15)5-4-6-11-7-10-13-12-9(2)14(10)3/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol?
5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol has a molecular weight of 212.30 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 106131673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).