3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol

C10H20N4O — CID 115699079

IUPAC3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCc1cnnn1C
InChIInChI=1S/C10H20N4O/c1-4-10(2,5-6-15)11-7-9-8-12-13-14(9)3/h8,11,15H,4-7H2,1-3H3
InChIKeyLHPINQKZFOBANX-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.46
Rot. Bonds6

About 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol

3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol (PubChem CID 115699079) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
PubChem CID115699079
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
SMILESCCC(C)(CCO)NCc1cnnn1C
InChIInChI=1S/C10H20N4O/c1-4-10(2,5-6-15)11-7-9-8-12-13-14(9)3/h8,11,15H,4-7H2,1-3H3
InChIKeyLHPINQKZFOBANX-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-5-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol
CID 103897704
2,2-dimethyl-3-[(3-methyltriazol-4-yl)methylamino]propan-1-ol
CID 115745052
3-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106172739
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol
CID 106175751
(3-methyltriazol-4-yl)methanol
CID 12654348
3-methyl-3-[(5-methyl-3-pyridinyl)methylamino]pentan-1-ol
CID 106175777
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115682655
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
3-methyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 106175780
(2S)-3-methyl-2-[(3-methyltriazol-4-yl)methylamino]butan-1-ol
CID 114986524
N-[(3-methyltriazol-4-yl)methyl]pyrimidin-5-amine
CID 107587777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol (CID 115699079) is 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol is CCC(C)(CCO)NCc1cnnn1C.
What is the InChIKey of 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is LHPINQKZFOBANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-4-10(2,5-6-15)11-7-9-8-12-13-14(9)3/h8,11,15H,4-7H2,1-3H3.
What are the key properties of 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol?
3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 212.30 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(3-methyltriazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 115699079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).