1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole

C12H14N4 — CID 10822527

IUPAC1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole
SMILESCN1CC=C(n2nnc3ccccc32)CC1
InChIInChI=1S/C12H14N4/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)13-14-16/h2-6H,7-9H2,1H3
InChIKeyJZJKCIVRWBLBJT-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.61
Rot. Bonds1

About 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole

1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole (PubChem CID 10822527) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole.

Molecular Properties

Compound Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole
PubChem CID10822527
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole
SMILESCN1CC=C(n2nnc3ccccc32)CC1
InChIInChI=1S/C12H14N4/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)13-14-16/h2-6H,7-9H2,1H3
InChIKeyJZJKCIVRWBLBJT-UHFFFAOYSA-N
XLogP1.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole?
The IUPAC name of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole (CID 10822527) is 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole.
What is the SMILES notation for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole?
The canonical SMILES for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole is CN1CC=C(n2nnc3ccccc32)CC1.
What is the InChIKey of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole?
The InChIKey is JZJKCIVRWBLBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-15-8-6-10(7-9-15)16-12-5-3-2-4-11(12)13-14-16/h2-6H,7-9H2,1H3.
What are the key properties of 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole?
1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole has a molecular weight of 214.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)benzotriazole is sourced from PubChem (CID 10822527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).