3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol

C10H20N4O — CID 114493584

IUPAC3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCn1ccnn1
InChIInChI=1S/C10H20N4O/c1-3-10(15,4-2)9-11-5-7-14-8-6-12-13-14/h6,8,11,15H,3-5,7,9H2,1-2H3
InChIKeyQDDUKSSYSSAWQY-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.42
Rot. Bonds7

About 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol

3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol (PubChem CID 114493584) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol
PubChem CID114493584
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCn1ccnn1
InChIInChI=1S/C10H20N4O/c1-3-10(15,4-2)9-11-5-7-14-8-6-12-13-14/h6,8,11,15H,3-5,7,9H2,1-2H3
InChIKeyQDDUKSSYSSAWQY-UHFFFAOYSA-N
XLogP0.42
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.42
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

3-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-3-ol dihydrochloride
CID 121552529
3-[(1H-1,2,3-triazol-1-yl)methyl]piperidin-3-ol
CID 121552530
3-[(1H-1,2,3-triazol-1-yl)methyl]pyrrolidin-3-ol
CID 122156743
2-Methyl-1-(triazol-1-yl)butan-2-ol
CID 89501189
N-(2-ethyl-2-hydroxybutyl)-3-(triazol-1-yl)propanamide
CID 65114113
N-(2-hydroxy-2-methylbutyl)-3-(triazol-1-yl)propanamide
CID 65114451
N-(2-hydroxy-2-methylbutyl)-2-(triazol-1-yl)acetamide
CID 79833738
N-(2-ethyl-2-hydroxybutyl)-2-(triazol-1-yl)acetamide
CID 79833954
1-Amino-2-methyl-3-(triazol-1-yl)propan-2-ol
CID 84650384
3-[[4-(Triazol-1-yl)piperidin-1-yl]methyl]pentan-3-ol
CID 86783503
3-methoxy-3-methyl-N-[2-(triazol-1-yl)ethyl]butan-1-amine
CID 103033574
3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 103033575

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol (CID 114493584) is 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCCn1ccnn1.
What is the InChIKey of 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol?
The InChIKey is QDDUKSSYSSAWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-3-10(15,4-2)9-11-5-7-14-8-6-12-13-14/h6,8,11,15H,3-5,7,9H2,1-2H3.
What are the key properties of 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol?
3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol has a molecular weight of 212.30 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(triazol-1-yl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114493584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).