1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine

C14H19N5 — CID 103204663

IUPAC1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nnc3ccccc3n2)CC1
InChIInChI=1S/C14H19N5/c1-15-10-11-6-8-19(9-7-11)14-16-12-4-2-3-5-13(12)17-18-14/h2-5,11,15H,6-10H2,1H3
InChIKeySRXIGIAQAMMXMK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.46
Rot. Bonds3

About 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine

1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine (PubChem CID 103204663) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine
PubChem CID103204663
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2nnc3ccccc3n2)CC1
InChIInChI=1S/C14H19N5/c1-15-10-11-6-8-19(9-7-11)14-16-12-4-2-3-5-13(12)17-18-14/h2-5,11,15H,6-10H2,1H3
InChIKeySRXIGIAQAMMXMK-UHFFFAOYSA-N
XLogP1.46
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine (CID 103204663) is 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(c2nnc3ccccc3n2)CC1.
What is the InChIKey of 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine?
The InChIKey is SRXIGIAQAMMXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-15-10-11-6-8-19(9-7-11)14-16-12-4-2-3-5-13(12)17-18-14/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine?
1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine has a molecular weight of 257.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,2,4-benzotriazin-3-yl)piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 103204663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).