1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine

C14H20N6 — CID 141399063

IUPAC1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine
SMILESCc1ncnn1Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N6/c1-12-16-11-17-20(12)10-13-3-4-15-14(9-13)19-7-5-18(2)6-8-19/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyCSZSSQDRCANROM-UHFFFAOYSA-N
MW272.36 g/mol
LogP0.78
Rot. Bonds3

About 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine

1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine (PubChem CID 141399063) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine
PubChem CID141399063
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine
SMILESCc1ncnn1Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C14H20N6/c1-12-16-11-17-20(12)10-13-3-4-15-14(9-13)19-7-5-18(2)6-8-19/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyCSZSSQDRCANROM-UHFFFAOYSA-N
XLogP0.78
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(4-propyl-2-pyridinyl)piperazine
CID 145392081
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 60776851
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62279824
2-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-propan-2-ylguanidine
CID 111049026
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
(E)-2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-phenylprop-2-en-1-amine
CID 119108088
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine (CID 141399063) is 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine is Cc1ncnn1Cc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine?
The InChIKey is CSZSSQDRCANROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-12-16-11-17-20(12)10-13-3-4-15-14(9-13)19-7-5-18(2)6-8-19/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine?
1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine has a molecular weight of 272.36 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(5-methyl-1,2,4-triazol-1-yl)methyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 141399063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).