2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol

C9H18N4O — CID 106281667

IUPAC2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol
SMILESCC(NC(C)C(C)(C)O)c1ncn[nH]1
InChIInChI=1S/C9H18N4O/c1-6(8-10-5-11-13-8)12-7(2)9(3,4)14/h5-7,12,14H,1-4H3,(H,10,11,13)
InChIKeyMAKVXGJMQFBMFO-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.61
Rot. Bonds4

About 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol

2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol (PubChem CID 106281667) has the molecular formula C9H18N4O and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol
PubChem CID106281667
Molecular FormulaC9H18N4O
Molecular Weight198.27 g/mol
Exact Mass198.15
IUPAC Name2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol
SMILESCC(NC(C)C(C)(C)O)c1ncn[nH]1
InChIInChI=1S/C9H18N4O/c1-6(8-10-5-11-13-8)12-7(2)9(3,4)14/h5-7,12,14H,1-4H3,(H,10,11,13)
InChIKeyMAKVXGJMQFBMFO-UHFFFAOYSA-N
XLogP0.61
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]hexan-2-amine
CID 106281815
1-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
CID 106282082
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978
1-(1H-pyrazol-5-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281607
2-methyl-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106283285
(2R)-2-amino-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282665
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
1-thiophen-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 106281938
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-ynamide
CID 103846656
2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106282578
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol (CID 106281667) is 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol is CC(NC(C)C(C)(C)O)c1ncn[nH]1.
What is the InChIKey of 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol?
The InChIKey is MAKVXGJMQFBMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O/c1-6(8-10-5-11-13-8)12-7(2)9(3,4)14/h5-7,12,14H,1-4H3,(H,10,11,13).
What are the key properties of 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol?
2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol has a molecular weight of 198.27 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 106281667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).