1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine

C14H20N6O — CID 146139101

IUPAC1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine
SMILESCOc1cncc(N2CCN(Cc3cnn(C)n3)CC2)c1
InChIInChI=1S/C14H20N6O/c1-18-16-8-12(17-18)11-19-3-5-20(6-4-19)13-7-14(21-2)10-15-9-13/h7-10H,3-6,11H2,1-2H3
InChIKeyBJIYZKXPRMFADK-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.54
Rot. Bonds4

About 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine

1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine (PubChem CID 146139101) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine
PubChem CID146139101
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine
SMILESCOc1cncc(N2CCN(Cc3cnn(C)n3)CC2)c1
InChIInChI=1S/C14H20N6O/c1-18-16-8-12(17-18)11-19-3-5-20(6-4-19)13-7-14(21-2)10-15-9-13/h7-10H,3-6,11H2,1-2H3
InChIKeyBJIYZKXPRMFADK-UHFFFAOYSA-N
XLogP0.54
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
4-methoxy-6-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazoline
CID 126894740
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126826218
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
1-[(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)methyl]-4-(3-methoxyphenyl)piperazine
CID 126783078
1-(3,5-dimethoxyphenyl)-4-ethylpiperazine
CID 143598581
2-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 146109682
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
4-(bromomethyl)-1-[(2-methyltriazol-4-yl)methyl]piperidine
CID 130592173
(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine (CID 146139101) is 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine is COc1cncc(N2CCN(Cc3cnn(C)n3)CC2)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine?
The InChIKey is BJIYZKXPRMFADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-18-16-8-12(17-18)11-19-3-5-20(6-4-19)13-7-14(21-2)10-15-9-13/h7-10H,3-6,11H2,1-2H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine?
1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine has a molecular weight of 288.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-4-[(2-methyltriazol-4-yl)methyl]piperazine is sourced from PubChem (CID 146139101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).