4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol

C8H16N4O — CID 114419575

IUPAC4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
SMILESCC(O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C8H16N4O/c1-6(13)3-4-12-5-8(7(2)9)10-11-12/h5-7,13H,3-4,9H2,1-2H3
InChIKeyIMTMPGOZYQQUBP-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.07
Rot. Bonds4

About 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol

4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol (PubChem CID 114419575) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
PubChem CID114419575
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
SMILESCC(O)CCn1cc(C(C)N)nn1
InChIInChI=1S/C8H16N4O/c1-6(13)3-4-12-5-8(7(2)9)10-11-12/h5-7,13H,3-4,9H2,1-2H3
InChIKeyIMTMPGOZYQQUBP-UHFFFAOYSA-N
XLogP0.07
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1-aminoethyl)triazol-1-yl]propan-2-ol
CID 114419408
1-[1-(2-aminoethyl)triazol-4-yl]ethanamine
CID 114419716
3-[4-(1-aminoethyl)triazol-1-yl]propan-1-amine
CID 114419828
1-[1-(2-methoxyethyl)triazol-4-yl]ethanamine
CID 114420137
1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023
3-[4-(1-aminoethyl)triazol-1-yl]propane-1,2-diol
CID 114420161
1-[1-(2-methylsulfonylethyl)triazol-4-yl]ethanamine
CID 114419540
3-[4-(1-aminoethyl)triazol-1-yl]-N-propan-2-ylpropanamide
CID 114420013
2-[4-[(1R)-1-aminoethyl]triazol-1-yl]acetic acid
CID 96739590
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407
1-[1-(3-ethylsulfanylpropyl)triazol-4-yl]ethanamine
CID 114419560
1-[1-(3-ethoxypropyl)triazol-4-yl]ethanamine
CID 114420179

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol?
The IUPAC name of 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol (CID 114419575) is 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol.
What is the SMILES notation for 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol?
The canonical SMILES for 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol is CC(O)CCn1cc(C(C)N)nn1.
What is the InChIKey of 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol?
The InChIKey is IMTMPGOZYQQUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6(13)3-4-12-5-8(7(2)9)10-11-12/h5-7,13H,3-4,9H2,1-2H3.
What are the key properties of 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol?
4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol is sourced from PubChem (CID 114419575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).