1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine

C14H20N6O — CID 107052299

IUPAC1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine
SMILESCn1cc(COc2cncc(N3CCCC(N)C3)c2)nn1
InChIInChI=1S/C14H20N6O/c1-19-9-12(17-18-19)10-21-14-5-13(6-16-7-14)20-4-2-3-11(15)8-20/h5-7,9,11H,2-4,8,10,15H2,1H3
InChIKeyWRMGKMCVUNFNBO-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.72
Rot. Bonds4

About 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine

1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine (PubChem CID 107052299) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine
PubChem CID107052299
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine
SMILESCn1cc(COc2cncc(N3CCCC(N)C3)c2)nn1
InChIInChI=1S/C14H20N6O/c1-19-9-12(17-18-19)10-21-14-5-13(6-16-7-14)20-4-2-3-11(15)8-20/h5-7,9,11H,2-4,8,10,15H2,1H3
InChIKeyWRMGKMCVUNFNBO-UHFFFAOYSA-N
XLogP0.72
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine?
The IUPAC name of 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine (CID 107052299) is 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine.
What is the SMILES notation for 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine?
The canonical SMILES for 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine is Cn1cc(COc2cncc(N3CCCC(N)C3)c2)nn1.
What is the InChIKey of 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine?
The InChIKey is WRMGKMCVUNFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-9-12(17-18-19)10-21-14-5-13(6-16-7-14)20-4-2-3-11(15)8-20/h5-7,9,11H,2-4,8,10,15H2,1H3.
What are the key properties of 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine?
1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine has a molecular weight of 288.35 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1-methyltriazol-4-yl)methoxy]-3-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 107052299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).