(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol

C8H16N4O — CID 106932503

IUPAC(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
SMILESC[C@@H](O)CNCCCn1ccnn1
InChIInChI=1S/C8H16N4O/c1-8(13)7-9-3-2-5-12-6-4-10-11-12/h4,6,8-9,13H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyCYRWNLUTUGJQGK-MRVPVSSYSA-N
MW184.24 g/mol
LogP-0.36
Rot. Bonds6

About (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol

(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol (PubChem CID 106932503) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
PubChem CID106932503
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol
SMILESC[C@@H](O)CNCCCn1ccnn1
InChIInChI=1S/C8H16N4O/c1-8(13)7-9-3-2-5-12-6-4-10-11-12/h4,6,8-9,13H,2-3,5,7H2,1H3/t8-/m1/s1
InChIKeyCYRWNLUTUGJQGK-MRVPVSSYSA-N
XLogP-0.36
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.36
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-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
CID 107442688
(2R)-1-(3-pyrazol-1-ylpropylamino)propan-2-ol
CID 106932499
(2R)-2-phenyl-N-[3-(triazol-1-yl)propyl]propan-1-amine
CID 99615717
N-(3-methylbutan-2-yl)-2-[3-(triazol-1-yl)propylamino]acetamide
CID 113412705
N-[2-(2-hydroxypropylamino)ethyl]-2-(triazol-1-yl)acetamide
CID 104593436
3-methyl-2-phenyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 107876383
1-[4-(triazol-1-yl)butyl]triazole
CID 90925029
4-[[3-(triazol-1-yl)propylamino]methyl]benzene-1,2,3-triol
CID 107731008
1-(2-pyrazol-1-ylethylamino)propan-2-ol
CID 61463069
2-[3-(triazol-1-yl)propylamino]ethanesulfonamide
CID 114385172
3-methoxy-3-methyl-N-[3-(triazol-1-yl)propyl]butan-1-amine
CID 103033575
3-hydroxy-4-[2-(triazol-1-yl)ethylamino]butanoic acid
CID 103263516

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol?
The IUPAC name of (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol (CID 106932503) is (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol is C[C@@H](O)CNCCCn1ccnn1.
What is the InChIKey of (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol?
The InChIKey is CYRWNLUTUGJQGK-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-8(13)7-9-3-2-5-12-6-4-10-11-12/h4,6,8-9,13H,2-3,5,7H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol?
(2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(triazol-1-yl)propylamino]propan-2-ol is sourced from PubChem (CID 106932503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).